Program PWSCF v.5.1.1 starts on 3Nov2015 at 5:16: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na3Li3N2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 34 9 1769 1769 263 Max 35 35 10 1779 1779 273 Sum 1663 1663 467 85101 85101 12933 bravais-lattice index = 14 lattice parameter (alat) = 6.9466 a.u. unit-cell volume = 604.2191 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.946633 celldm(2)= 1.048422 celldm(3)= 1.719260 celldm(4)= 0.005410 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.048422 0.000000 ) a(3) = ( 0.000000 0.009302 1.719235 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.953814 -0.005161 ) b(3) = ( 0.000000 0.000000 0.581654 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0000000 0.0000000 0.0116331), wk = 0.0030864 k( 3) = ( 0.0000000 0.0000000 0.0232662), wk = 0.0030864 k( 4) = ( 0.0000000 0.0000000 0.0348992), wk = 0.0030864 k( 5) = ( 0.0000000 0.0000000 0.0465323), wk = 0.0030864 k( 6) = ( 0.0000000 0.0000000 0.0581654), wk = 0.0030864 k( 7) = ( 0.0000000 0.0000000 0.0697985), wk = 0.0030864 k( 8) = ( 0.0000000 0.0000000 0.0814316), wk = 0.0030864 k( 9) = ( 0.0000000 0.0000000 0.0930647), wk = 0.0030864 k( 10) = ( 0.0000000 0.0000000 0.1046977), wk = 0.0030864 k( 11) = ( 0.0000000 0.0000000 0.1163308), wk = 0.0030864 k( 12) = ( 0.0000000 0.0000000 0.1279639), wk = 0.0030864 k( 13) = ( 0.0000000 0.0000000 0.1395970), wk = 0.0030864 k( 14) = ( 0.0000000 0.0000000 0.1512301), wk = 0.0030864 k( 15) = ( 0.0000000 0.0000000 0.1628631), wk = 0.0030864 k( 16) = ( 0.0000000 0.0000000 0.1744962), wk = 0.0030864 k( 17) = ( 0.0000000 0.0000000 0.1861293), wk = 0.0030864 k( 18) = ( 0.0000000 0.0000000 0.1977624), wk = 0.0030864 k( 19) = ( 0.0000000 0.0000000 0.2093955), wk = 0.0030864 k( 20) = ( 0.0000000 0.0000000 0.2210286), wk = 0.0030864 k( 21) = ( 0.0000000 0.0000000 0.2326616), wk = 0.0030864 k( 22) = ( 0.0000000 0.0000000 0.2442947), wk = 0.0030864 k( 23) = ( 0.0000000 0.0000000 0.2559278), wk = 0.0030864 k( 24) = ( 0.0000000 0.0000000 0.2675609), wk = 0.0030864 k( 25) = ( 0.0000000 0.0000000 0.2791940), wk = 0.0030864 k( 26) = ( 0.0000000 0.0000000 0.2908270), wk = 0.0030864 k( 27) = ( 0.0000000 0.0000000 0.2908270), wk = 0.0030864 k( 28) = ( 0.0000000 0.0115938 0.2908270), wk = 0.0030864 k( 29) = ( 0.0000000 0.0231877 0.2908270), wk = 0.0030864 k( 30) = ( 0.0000000 0.0347815 0.2908270), wk = 0.0030864 k( 31) = ( 0.0000000 0.0463754 0.2908270), wk = 0.0030864 k( 32) = ( 0.0000000 0.0579692 0.2908270), wk = 0.0030864 k( 33) = ( 0.0000000 0.0695631 0.2908270), wk = 0.0030864 k( 34) = ( 0.0000000 0.0811569 0.2908270), wk = 0.0030864 k( 35) = ( 0.0000000 0.0927507 0.2908270), wk = 0.0030864 k( 36) = ( 0.0000000 0.1043446 0.2908270), wk = 0.0030864 k( 37) = ( 0.0000000 0.1159384 0.2908270), wk = 0.0030864 k( 38) = ( 0.0000000 0.1275323 0.2908270), wk = 0.0030864 k( 39) = ( 0.0000000 0.1391261 0.2908270), wk = 0.0030864 k( 40) = ( 0.0000000 0.1507199 0.2908270), wk = 0.0030864 k( 41) = ( 0.0000000 0.1623138 0.2908270), wk = 0.0030864 k( 42) = ( 0.0000000 0.1739076 0.2908270), wk = 0.0030864 k( 43) = ( 0.0000000 0.1855015 0.2908270), wk = 0.0030864 k( 44) = ( 0.0000000 0.1970953 0.2908270), wk = 0.0030864 k( 45) = ( 0.0000000 0.2086892 0.2908270), wk = 0.0030864 k( 46) = ( 0.0000000 0.2202830 0.2908270), wk = 0.0030864 k( 47) = ( 0.0000000 0.2318768 0.2908270), wk = 0.0030864 k( 48) = ( 0.0000000 0.2434707 0.2908270), wk = 0.0030864 k( 49) = ( 0.0000000 0.2550645 0.2908270), wk = 0.0030864 k( 50) = ( 0.0000000 0.2666584 0.2908270), wk = 0.0030864 k( 51) = ( 0.0000000 0.2782522 0.2908270), wk = 0.0030864 k( 52) = ( 0.0000000 0.2898461 0.2908270), wk = 0.0030864 k( 53) = ( 0.0000000 0.3014399 0.2908270), wk = 0.0030864 k( 54) = ( 0.0000000 0.3130337 0.2908270), wk = 0.0030864 k( 55) = ( 0.0000000 0.3246276 0.2908270), wk = 0.0030864 k( 56) = ( 0.0000000 0.3362214 0.2908270), wk = 0.0030864 k( 57) = ( 0.0000000 0.3478153 0.2908270), wk = 0.0030864 k( 58) = ( 0.0000000 0.3594091 0.2908270), wk = 0.0030864 k( 59) = ( 0.0000000 0.3710030 0.2908270), wk = 0.0030864 k( 60) = ( 0.0000000 0.3825968 0.2908270), wk = 0.0030864 k( 61) = ( 0.0000000 0.3941906 0.2908270), wk = 0.0030864 k( 62) = ( 0.0000000 0.4057845 0.2908270), wk = 0.0030864 k( 63) = ( 0.0000000 0.4173783 0.2908270), wk = 0.0030864 k( 64) = ( 0.0000000 0.4289722 0.2908270), wk = 0.0030864 k( 65) = ( 0.0000000 0.4405660 0.2908270), wk = 0.0030864 k( 66) = ( 0.0000000 0.4521598 0.2908270), wk = 0.0030864 k( 67) = ( 0.0000000 0.4637537 0.2908270), wk = 0.0030864 k( 68) = ( 0.0000000 0.4753475 0.2908270), wk = 0.0030864 k( 69) = ( 0.0000000 0.4753475 0.2908270), wk = 0.0030864 k( 70) = ( 0.0000000 0.4769071 0.2882467), wk = 0.0030864 k( 71) = ( 0.0000000 0.4769071 0.2882467), wk = 0.0030864 k( 72) = ( 0.0116279 0.4769071 0.2882467), wk = 0.0030864 k( 73) = ( 0.0232558 0.4769071 0.2882467), wk = 0.0030864 k( 74) = ( 0.0348837 0.4769071 0.2882467), wk = 0.0030864 k( 75) = ( 0.0465116 0.4769071 0.2882467), wk = 0.0030864 k( 76) = ( 0.0581395 0.4769071 0.2882467), wk = 0.0030864 k( 77) = ( 0.0697674 0.4769071 0.2882467), wk = 0.0030864 k( 78) = ( 0.0813954 0.4769071 0.2882467), wk = 0.0030864 k( 79) = ( 0.0930233 0.4769071 0.2882467), wk = 0.0030864 k( 80) = ( 0.1046512 0.4769071 0.2882467), wk = 0.0030864 k( 81) = ( 0.1162791 0.4769071 0.2882467), wk = 0.0030864 k( 82) = ( 0.1279070 0.4769071 0.2882467), wk = 0.0030864 k( 83) = ( 0.1395349 0.4769071 0.2882467), wk = 0.0030864 k( 84) = ( 0.1511628 0.4769071 0.2882467), wk = 0.0030864 k( 85) = ( 0.1627907 0.4769071 0.2882467), wk = 0.0030864 k( 86) = ( 0.1744186 0.4769071 0.2882467), wk = 0.0030864 k( 87) = ( 0.1860465 0.4769071 0.2882467), wk = 0.0030864 k( 88) = ( 0.1976744 0.4769071 0.2882467), wk = 0.0030864 k( 89) = ( 0.2093023 0.4769071 0.2882467), wk = 0.0030864 k( 90) = ( 0.2209302 0.4769071 0.2882467), wk = 0.0030864 k( 91) = ( 0.2325581 0.4769071 0.2882467), wk = 0.0030864 k( 92) = ( 0.2441860 0.4769071 0.2882467), wk = 0.0030864 k( 93) = ( 0.2558140 0.4769071 0.2882467), wk = 0.0030864 k( 94) = ( 0.2674419 0.4769071 0.2882467), wk = 0.0030864 k( 95) = ( 0.2790698 0.4769071 0.2882467), wk = 0.0030864 k( 96) = ( 0.2906977 0.4769071 0.2882467), wk = 0.0030864 k( 97) = ( 0.3023256 0.4769071 0.2882467), wk = 0.0030864 k( 98) = ( 0.3139535 0.4769071 0.2882467), wk = 0.0030864 k( 99) = ( 0.3255814 0.4769071 0.2882467), wk = 0.0030864 k( 100) = ( 0.3372093 0.4769071 0.2882467), wk = 0.0030864 k( 101) = ( 0.3488372 0.4769071 0.2882467), wk = 0.0030864 k( 102) = ( 0.3604651 0.4769071 0.2882467), wk = 0.0030864 k( 103) = ( 0.3720930 0.4769071 0.2882467), wk = 0.0030864 k( 104) = ( 0.3837209 0.4769071 0.2882467), wk = 0.0030864 k( 105) = ( 0.3953488 0.4769071 0.2882467), wk = 0.0030864 k( 106) = ( 0.4069767 0.4769071 0.2882467), wk = 0.0030864 k( 107) = ( 0.4186047 0.4769071 0.2882467), wk = 0.0030864 k( 108) = ( 0.4302326 0.4769071 0.2882467), wk = 0.0030864 k( 109) = ( 0.4418605 0.4769071 0.2882467), wk = 0.0030864 k( 110) = ( 0.4534884 0.4769071 0.2882467), wk = 0.0030864 k( 111) = ( 0.4651163 0.4769071 0.2882467), wk = 0.0030864 k( 112) = ( 0.4767442 0.4769071 0.2882467), wk = 0.0030864 k( 113) = ( 0.4883721 0.4769071 0.2882467), wk = 0.0030864 k( 114) = ( 0.5000000 0.4769071 0.2882467), wk = 0.0030864 k( 115) = ( 0.5000000 0.4769071 0.2882467), wk = 0.0030864 k( 116) = ( 0.5000000 0.4784667 0.2856664), wk = 0.0030864 k( 117) = ( 0.5000000 0.4784667 0.2856664), wk = 0.0030864 k( 118) = ( 0.5000000 0.4784043 0.2741365), wk = 0.0030864 k( 119) = ( 0.5000000 0.4783419 0.2626066), wk = 0.0030864 k( 120) = ( 0.5000000 0.4782795 0.2510768), wk = 0.0030864 k( 121) = ( 0.5000000 0.4782172 0.2395469), wk = 0.0030864 k( 122) = ( 0.5000000 0.4781548 0.2280170), wk = 0.0030864 k( 123) = ( 0.5000000 0.4780924 0.2164871), wk = 0.0030864 k( 124) = ( 0.5000000 0.4780300 0.2049573), wk = 0.0030864 k( 125) = ( 0.5000000 0.4779676 0.1934274), wk = 0.0030864 k( 126) = ( 0.5000000 0.4779052 0.1818975), wk = 0.0030864 k( 127) = ( 0.5000000 0.4778429 0.1703677), wk = 0.0030864 k( 128) = ( 0.5000000 0.4777805 0.1588378), wk = 0.0030864 k( 129) = ( 0.5000000 0.4777181 0.1473079), wk = 0.0030864 k( 130) = ( 0.5000000 0.4776557 0.1357781), wk = 0.0030864 k( 131) = ( 0.5000000 0.4775933 0.1242482), wk = 0.0030864 k( 132) = ( 0.5000000 0.4775309 0.1127183), wk = 0.0030864 k( 133) = ( 0.5000000 0.4774686 0.1011885), wk = 0.0030864 k( 134) = ( 0.5000000 0.4774062 0.0896586), wk = 0.0030864 k( 135) = ( 0.5000000 0.4773438 0.0781287), wk = 0.0030864 k( 136) = ( 0.5000000 0.4772814 0.0665989), wk = 0.0030864 k( 137) = ( 0.5000000 0.4772190 0.0550690), wk = 0.0030864 k( 138) = ( 0.5000000 0.4771566 0.0435391), wk = 0.0030864 k( 139) = ( 0.5000000 0.4770943 0.0320093), wk = 0.0030864 k( 140) = ( 0.5000000 0.4770319 0.0204794), wk = 0.0030864 k( 141) = ( 0.5000000 0.4769695 0.0089495), wk = 0.0030864 k( 142) = ( 0.5000000 0.4769071 -0.0025803), wk = 0.0030864 k( 143) = ( 0.5000000 0.4769071 -0.0025803), wk = 0.0030864 k( 144) = ( 0.4883721 0.4769071 -0.0025803), wk = 0.0030864 k( 145) = ( 0.4767442 0.4769071 -0.0025803), wk = 0.0030864 k( 146) = ( 0.4651163 0.4769071 -0.0025803), wk = 0.0030864 k( 147) = ( 0.4534884 0.4769071 -0.0025803), wk = 0.0030864 k( 148) = ( 0.4418605 0.4769071 -0.0025803), wk = 0.0030864 k( 149) = ( 0.4302326 0.4769071 -0.0025803), wk = 0.0030864 k( 150) = ( 0.4186047 0.4769071 -0.0025803), wk = 0.0030864 k( 151) = ( 0.4069767 0.4769071 -0.0025803), wk = 0.0030864 k( 152) = ( 0.3953488 0.4769071 -0.0025803), wk = 0.0030864 k( 153) = ( 0.3837209 0.4769071 -0.0025803), wk = 0.0030864 k( 154) = ( 0.3720930 0.4769071 -0.0025803), wk = 0.0030864 k( 155) = ( 0.3604651 0.4769071 -0.0025803), wk = 0.0030864 k( 156) = ( 0.3488372 0.4769071 -0.0025803), wk = 0.0030864 k( 157) = ( 0.3372093 0.4769071 -0.0025803), wk = 0.0030864 k( 158) = ( 0.3255814 0.4769071 -0.0025803), wk = 0.0030864 k( 159) = ( 0.3139535 0.4769071 -0.0025803), wk = 0.0030864 k( 160) = ( 0.3023256 0.4769071 -0.0025803), wk = 0.0030864 k( 161) = ( 0.2906977 0.4769071 -0.0025803), wk = 0.0030864 k( 162) = ( 0.2790698 0.4769071 -0.0025803), wk = 0.0030864 k( 163) = ( 0.2674419 0.4769071 -0.0025803), wk = 0.0030864 k( 164) = ( 0.2558140 0.4769071 -0.0025803), wk = 0.0030864 k( 165) = ( 0.2441860 0.4769071 -0.0025803), wk = 0.0030864 k( 166) = ( 0.2325581 0.4769071 -0.0025803), wk = 0.0030864 k( 167) = ( 0.2209302 0.4769071 -0.0025803), wk = 0.0030864 k( 168) = ( 0.2093023 0.4769071 -0.0025803), wk = 0.0030864 k( 169) = ( 0.1976744 0.4769071 -0.0025803), wk = 0.0030864 k( 170) = ( 0.1860465 0.4769071 -0.0025803), wk = 0.0030864 k( 171) = ( 0.1744186 0.4769071 -0.0025803), wk = 0.0030864 k( 172) = ( 0.1627907 0.4769071 -0.0025803), wk = 0.0030864 k( 173) = ( 0.1511628 0.4769071 -0.0025803), wk = 0.0030864 k( 174) = ( 0.1395349 0.4769071 -0.0025803), wk = 0.0030864 k( 175) = ( 0.1279070 0.4769071 -0.0025803), wk = 0.0030864 k( 176) = ( 0.1162791 0.4769071 -0.0025803), wk = 0.0030864 k( 177) = ( 0.1046512 0.4769071 -0.0025803), wk = 0.0030864 k( 178) = ( 0.0930233 0.4769071 -0.0025803), wk = 0.0030864 k( 179) = ( 0.0813954 0.4769071 -0.0025803), wk = 0.0030864 k( 180) = ( 0.0697674 0.4769071 -0.0025803), wk = 0.0030864 k( 181) = ( 0.0581395 0.4769071 -0.0025803), wk = 0.0030864 k( 182) = ( 0.0465116 0.4769071 -0.0025803), wk = 0.0030864 k( 183) = ( 0.0348837 0.4769071 -0.0025803), wk = 0.0030864 k( 184) = ( 0.0232558 0.4769071 -0.0025803), wk = 0.0030864 k( 185) = ( 0.0116279 0.4769071 -0.0025803), wk = 0.0030864 k( 186) = ( 0.0000000 0.4769071 -0.0025803), wk = 0.0030864 k( 187) = ( 0.0000000 0.4769071 -0.0025803), wk = 0.0030864 k( 188) = ( 0.0000000 0.4769695 0.0089495), wk = 0.0030864 k( 189) = ( 0.0000000 0.4770319 0.0204794), wk = 0.0030864 k( 190) = ( 0.0000000 0.4770943 0.0320093), wk = 0.0030864 k( 191) = ( 0.0000000 0.4771566 0.0435391), wk = 0.0030864 k( 192) = ( 0.0000000 0.4772190 0.0550690), wk = 0.0030864 k( 193) = ( 0.0000000 0.4772814 0.0665989), wk = 0.0030864 k( 194) = ( 0.0000000 0.4773438 0.0781287), wk = 0.0030864 k( 195) = ( 0.0000000 0.4774062 0.0896586), wk = 0.0030864 k( 196) = ( 0.0000000 0.4774686 0.1011885), wk = 0.0030864 k( 197) = ( 0.0000000 0.4775309 0.1127183), wk = 0.0030864 k( 198) = ( 0.0000000 0.4775933 0.1242482), wk = 0.0030864 k( 199) = ( 0.0000000 0.4776557 0.1357781), wk = 0.0030864 k( 200) = ( 0.0000000 0.4777181 0.1473079), wk = 0.0030864 k( 201) = ( 0.0000000 0.4777805 0.1588378), wk = 0.0030864 k( 202) = ( 0.0000000 0.4778429 0.1703677), wk = 0.0030864 k( 203) = ( 0.0000000 0.4779052 0.1818975), wk = 0.0030864 k( 204) = ( 0.0000000 0.4779676 0.1934274), wk = 0.0030864 k( 205) = ( 0.0000000 0.4780300 0.2049573), wk = 0.0030864 k( 206) = ( 0.0000000 0.4780924 0.2164871), wk = 0.0030864 k( 207) = ( 0.0000000 0.4781548 0.2280170), wk = 0.0030864 k( 208) = ( 0.0000000 0.4782172 0.2395469), wk = 0.0030864 k( 209) = ( 0.0000000 0.4782795 0.2510768), wk = 0.0030864 k( 210) = ( 0.0000000 0.4783419 0.2626066), wk = 0.0030864 k( 211) = ( 0.0000000 0.4784043 0.2741365), wk = 0.0030864 k( 212) = ( 0.0000000 0.4784667 0.2856664), wk = 0.0030864 k( 213) = ( 0.5000000 0.4753475 0.2908270), wk = 0.0030864 k( 214) = ( 0.5000000 0.4637537 0.2908270), wk = 0.0030864 k( 215) = ( 0.5000000 0.4521598 0.2908270), wk = 0.0030864 k( 216) = ( 0.5000000 0.4405660 0.2908270), wk = 0.0030864 k( 217) = ( 0.5000000 0.4289722 0.2908270), wk = 0.0030864 k( 218) = ( 0.5000000 0.4173783 0.2908270), wk = 0.0030864 k( 219) = ( 0.5000000 0.4057845 0.2908270), wk = 0.0030864 k( 220) = ( 0.5000000 0.3941906 0.2908270), wk = 0.0030864 k( 221) = ( 0.5000000 0.3825968 0.2908270), wk = 0.0030864 k( 222) = ( 0.5000000 0.3710030 0.2908270), wk = 0.0030864 k( 223) = ( 0.5000000 0.3594091 0.2908270), wk = 0.0030864 k( 224) = ( 0.5000000 0.3478153 0.2908270), wk = 0.0030864 k( 225) = ( 0.5000000 0.3362214 0.2908270), wk = 0.0030864 k( 226) = ( 0.5000000 0.3246276 0.2908270), wk = 0.0030864 k( 227) = ( 0.5000000 0.3130337 0.2908270), wk = 0.0030864 k( 228) = ( 0.5000000 0.3014399 0.2908270), wk = 0.0030864 k( 229) = ( 0.5000000 0.2898461 0.2908270), wk = 0.0030864 k( 230) = ( 0.5000000 0.2782522 0.2908270), wk = 0.0030864 k( 231) = ( 0.5000000 0.2666584 0.2908270), wk = 0.0030864 k( 232) = ( 0.5000000 0.2550645 0.2908270), wk = 0.0030864 k( 233) = ( 0.5000000 0.2434707 0.2908270), wk = 0.0030864 k( 234) = ( 0.5000000 0.2318768 0.2908270), wk = 0.0030864 k( 235) = ( 0.5000000 0.2202830 0.2908270), wk = 0.0030864 k( 236) = ( 0.5000000 0.2086892 0.2908270), wk = 0.0030864 k( 237) = ( 0.5000000 0.1970953 0.2908270), wk = 0.0030864 k( 238) = ( 0.5000000 0.1855015 0.2908270), wk = 0.0030864 k( 239) = ( 0.5000000 0.1739076 0.2908270), wk = 0.0030864 k( 240) = ( 0.5000000 0.1623138 0.2908270), wk = 0.0030864 k( 241) = ( 0.5000000 0.1507199 0.2908270), wk = 0.0030864 k( 242) = ( 0.5000000 0.1391261 0.2908270), wk = 0.0030864 k( 243) = ( 0.5000000 0.1275323 0.2908270), wk = 0.0030864 k( 244) = ( 0.5000000 0.1159384 0.2908270), wk = 0.0030864 k( 245) = ( 0.5000000 0.1043446 0.2908270), wk = 0.0030864 k( 246) = ( 0.5000000 0.0927507 0.2908270), wk = 0.0030864 k( 247) = ( 0.5000000 0.0811569 0.2908270), wk = 0.0030864 k( 248) = ( 0.5000000 0.0695631 0.2908270), wk = 0.0030864 k( 249) = ( 0.5000000 0.0579692 0.2908270), wk = 0.0030864 k( 250) = ( 0.5000000 0.0463754 0.2908270), wk = 0.0030864 k( 251) = ( 0.5000000 0.0347815 0.2908270), wk = 0.0030864 k( 252) = ( 0.5000000 0.0231877 0.2908270), wk = 0.0030864 k( 253) = ( 0.5000000 0.0115938 0.2908270), wk = 0.0030864 k( 254) = ( 0.5000000 -0.0000000 0.2908270), wk = 0.0030864 k( 255) = ( 0.5000000 -0.0000000 0.2908270), wk = 0.0030864 k( 256) = ( 0.5000000 -0.0000000 0.2791940), wk = 0.0030864 k( 257) = ( 0.5000000 -0.0000000 0.2675609), wk = 0.0030864 k( 258) = ( 0.5000000 -0.0000000 0.2559278), wk = 0.0030864 k( 259) = ( 0.5000000 -0.0000000 0.2442947), wk = 0.0030864 k( 260) = ( 0.5000000 -0.0000000 0.2326616), wk = 0.0030864 k( 261) = ( 0.5000000 -0.0000000 0.2210286), wk = 0.0030864 k( 262) = ( 0.5000000 -0.0000000 0.2093955), wk = 0.0030864 k( 263) = ( 0.5000000 -0.0000000 0.1977624), wk = 0.0030864 k( 264) = ( 0.5000000 -0.0000000 0.1861293), wk = 0.0030864 k( 265) = ( 0.5000000 -0.0000000 0.1744962), wk = 0.0030864 k( 266) = ( 0.5000000 -0.0000000 0.1628631), wk = 0.0030864 k( 267) = ( 0.5000000 -0.0000000 0.1512301), wk = 0.0030864 k( 268) = ( 0.5000000 -0.0000000 0.1395970), wk = 0.0030864 k( 269) = ( 0.5000000 -0.0000000 0.1279639), wk = 0.0030864 k( 270) = ( 0.5000000 -0.0000000 0.1163308), wk = 0.0030864 k( 271) = ( 0.5000000 -0.0000000 0.1046977), wk = 0.0030864 k( 272) = ( 0.5000000 -0.0000000 0.0930647), wk = 0.0030864 k( 273) = ( 0.5000000 -0.0000000 0.0814316), wk = 0.0030864 k( 274) = ( 0.5000000 -0.0000000 0.0697985), wk = 0.0030864 k( 275) = ( 0.5000000 -0.0000000 0.0581654), wk = 0.0030864 k( 276) = ( 0.5000000 -0.0000000 0.0465323), wk = 0.0030864 k( 277) = ( 0.5000000 -0.0000000 0.0348992), wk = 0.0030864 k( 278) = ( 0.5000000 -0.0000000 0.0232662), wk = 0.0030864 k( 279) = ( 0.5000000 -0.0000000 0.0116331), wk = 0.0030864 k( 280) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 281) = ( 0.0000000 0.0000000 0.2908270), wk = 0.0030864 k( 282) = ( 0.0116279 -0.0000000 0.2908270), wk = 0.0030864 k( 283) = ( 0.0232558 -0.0000000 0.2908270), wk = 0.0030864 k( 284) = ( 0.0348837 -0.0000000 0.2908270), wk = 0.0030864 k( 285) = ( 0.0465116 -0.0000000 0.2908270), wk = 0.0030864 k( 286) = ( 0.0581395 -0.0000000 0.2908270), wk = 0.0030864 k( 287) = ( 0.0697674 -0.0000000 0.2908270), wk = 0.0030864 k( 288) = ( 0.0813954 -0.0000000 0.2908270), wk = 0.0030864 k( 289) = ( 0.0930233 -0.0000000 0.2908270), wk = 0.0030864 k( 290) = ( 0.1046512 -0.0000000 0.2908270), wk = 0.0030864 k( 291) = ( 0.1162791 -0.0000000 0.2908270), wk = 0.0030864 k( 292) = ( 0.1279070 -0.0000000 0.2908270), wk = 0.0030864 k( 293) = ( 0.1395349 -0.0000000 0.2908270), wk = 0.0030864 k( 294) = ( 0.1511628 -0.0000000 0.2908270), wk = 0.0030864 k( 295) = ( 0.1627907 -0.0000000 0.2908270), wk = 0.0030864 k( 296) = ( 0.1744186 -0.0000000 0.2908270), wk = 0.0030864 k( 297) = ( 0.1860465 -0.0000000 0.2908270), wk = 0.0030864 k( 298) = ( 0.1976744 -0.0000000 0.2908270), wk = 0.0030864 k( 299) = ( 0.2093023 -0.0000000 0.2908270), wk = 0.0030864 k( 300) = ( 0.2209302 -0.0000000 0.2908270), wk = 0.0030864 k( 301) = ( 0.2325581 -0.0000000 0.2908270), wk = 0.0030864 k( 302) = ( 0.2441860 -0.0000000 0.2908270), wk = 0.0030864 k( 303) = ( 0.2558140 -0.0000000 0.2908270), wk = 0.0030864 k( 304) = ( 0.2674419 -0.0000000 0.2908270), wk = 0.0030864 k( 305) = ( 0.2790698 -0.0000000 0.2908270), wk = 0.0030864 k( 306) = ( 0.2906977 -0.0000000 0.2908270), wk = 0.0030864 k( 307) = ( 0.3023256 -0.0000000 0.2908270), wk = 0.0030864 k( 308) = ( 0.3139535 -0.0000000 0.2908270), wk = 0.0030864 k( 309) = ( 0.3255814 -0.0000000 0.2908270), wk = 0.0030864 k( 310) = ( 0.3372093 -0.0000000 0.2908270), wk = 0.0030864 k( 311) = ( 0.3488372 -0.0000000 0.2908270), wk = 0.0030864 k( 312) = ( 0.3604651 -0.0000000 0.2908270), wk = 0.0030864 k( 313) = ( 0.3720930 -0.0000000 0.2908270), wk = 0.0030864 k( 314) = ( 0.3837209 -0.0000000 0.2908270), wk = 0.0030864 k( 315) = ( 0.3953488 -0.0000000 0.2908270), wk = 0.0030864 k( 316) = ( 0.4069767 -0.0000000 0.2908270), wk = 0.0030864 k( 317) = ( 0.4186047 -0.0000000 0.2908270), wk = 0.0030864 k( 318) = ( 0.4302326 -0.0000000 0.2908270), wk = 0.0030864 k( 319) = ( 0.4418605 -0.0000000 0.2908270), wk = 0.0030864 k( 320) = ( 0.4534884 -0.0000000 0.2908270), wk = 0.0030864 k( 321) = ( 0.4651163 -0.0000000 0.2908270), wk = 0.0030864 k( 322) = ( 0.4767442 -0.0000000 0.2908270), wk = 0.0030864 k( 323) = ( 0.4883721 -0.0000000 0.2908270), wk = 0.0030864 k( 324) = ( 0.5000000 -0.0000000 0.2908270), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030864 k( 3) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030864 k( 4) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030864 k( 5) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030864 k( 6) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030864 k( 7) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030864 k( 8) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030864 k( 9) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030864 k( 10) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030864 k( 11) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030864 k( 12) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030864 k( 13) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030864 k( 14) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030864 k( 15) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030864 k( 16) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030864 k( 17) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030864 k( 18) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030864 k( 19) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030864 k( 20) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030864 k( 21) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030864 k( 22) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030864 k( 23) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030864 k( 24) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030864 k( 25) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030864 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 28) = ( 0.0000000 0.0121552 0.5001079), wk = 0.0030864 k( 29) = ( 0.0000000 0.0243105 0.5002157), wk = 0.0030864 k( 30) = ( 0.0000000 0.0364657 0.5003235), wk = 0.0030864 k( 31) = ( 0.0000000 0.0486210 0.5004314), wk = 0.0030864 k( 32) = ( 0.0000000 0.0607762 0.5005392), wk = 0.0030864 k( 33) = ( 0.0000000 0.0729314 0.5006471), wk = 0.0030864 k( 34) = ( 0.0000000 0.0850867 0.5007549), wk = 0.0030864 k( 35) = ( 0.0000000 0.0972419 0.5008628), wk = 0.0030864 k( 36) = ( 0.0000000 0.1093972 0.5009706), wk = 0.0030864 k( 37) = ( 0.0000000 0.1215524 0.5010785), wk = 0.0030864 k( 38) = ( 0.0000000 0.1337077 0.5011863), wk = 0.0030864 k( 39) = ( 0.0000000 0.1458629 0.5012942), wk = 0.0030864 k( 40) = ( 0.0000000 0.1580181 0.5014020), wk = 0.0030864 k( 41) = ( 0.0000000 0.1701734 0.5015098), wk = 0.0030864 k( 42) = ( 0.0000000 0.1823286 0.5016177), wk = 0.0030864 k( 43) = ( 0.0000000 0.1944839 0.5017255), wk = 0.0030864 k( 44) = ( 0.0000000 0.2066391 0.5018334), wk = 0.0030864 k( 45) = ( 0.0000000 0.2187943 0.5019412), wk = 0.0030864 k( 46) = ( 0.0000000 0.2309496 0.5020491), wk = 0.0030864 k( 47) = ( 0.0000000 0.2431048 0.5021569), wk = 0.0030864 k( 48) = ( 0.0000000 0.2552601 0.5022648), wk = 0.0030864 k( 49) = ( 0.0000000 0.2674153 0.5023726), wk = 0.0030864 k( 50) = ( 0.0000000 0.2795705 0.5024805), wk = 0.0030864 k( 51) = ( 0.0000000 0.2917258 0.5025883), wk = 0.0030864 k( 52) = ( 0.0000000 0.3038810 0.5026962), wk = 0.0030864 k( 53) = ( 0.0000000 0.3160363 0.5028040), wk = 0.0030864 k( 54) = ( 0.0000000 0.3281915 0.5029119), wk = 0.0030864 k( 55) = ( 0.0000000 0.3403468 0.5030197), wk = 0.0030864 k( 56) = ( 0.0000000 0.3525020 0.5031275), wk = 0.0030864 k( 57) = ( 0.0000000 0.3646572 0.5032354), wk = 0.0030864 k( 58) = ( 0.0000000 0.3768125 0.5033432), wk = 0.0030864 k( 59) = ( 0.0000000 0.3889677 0.5034511), wk = 0.0030864 k( 60) = ( 0.0000000 0.4011230 0.5035589), wk = 0.0030864 k( 61) = ( 0.0000000 0.4132782 0.5036668), wk = 0.0030864 k( 62) = ( 0.0000000 0.4254334 0.5037746), wk = 0.0030864 k( 63) = ( 0.0000000 0.4375887 0.5038825), wk = 0.0030864 k( 64) = ( 0.0000000 0.4497439 0.5039903), wk = 0.0030864 k( 65) = ( 0.0000000 0.4618992 0.5040982), wk = 0.0030864 k( 66) = ( 0.0000000 0.4740544 0.5042060), wk = 0.0030864 k( 67) = ( 0.0000000 0.4862097 0.5043139), wk = 0.0030864 k( 68) = ( 0.0000000 0.4983649 0.5044217), wk = 0.0030864 k( 69) = ( 0.0000000 0.4983649 0.5044217), wk = 0.0030864 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 71) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 72) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0030864 k( 73) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0030864 k( 74) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0030864 k( 75) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0030864 k( 76) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0030864 k( 77) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0030864 k( 78) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0030864 k( 79) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0030864 k( 80) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0030864 k( 81) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0030864 k( 82) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0030864 k( 83) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0030864 k( 84) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0030864 k( 85) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0030864 k( 86) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0030864 k( 87) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0030864 k( 88) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0030864 k( 89) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0030864 k( 90) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0030864 k( 91) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0030864 k( 92) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0030864 k( 93) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0030864 k( 94) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0030864 k( 95) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0030864 k( 96) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0030864 k( 97) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0030864 k( 98) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0030864 k( 99) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0030864 k( 100) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0030864 k( 101) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0030864 k( 102) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0030864 k( 103) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0030864 k( 104) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0030864 k( 105) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0030864 k( 106) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0030864 k( 107) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0030864 k( 108) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0030864 k( 109) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0030864 k( 110) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0030864 k( 111) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0030864 k( 112) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0030864 k( 113) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0030864 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 116) = ( 0.5000000 0.5016351 0.4955783), wk = 0.0030864 k( 117) = ( 0.5000000 0.5016351 0.4955783), wk = 0.0030864 k( 118) = ( 0.5000000 0.5015697 0.4757552), wk = 0.0030864 k( 119) = ( 0.5000000 0.5015043 0.4559320), wk = 0.0030864 k( 120) = ( 0.5000000 0.5014389 0.4361089), wk = 0.0030864 k( 121) = ( 0.5000000 0.5013735 0.4162858), wk = 0.0030864 k( 122) = ( 0.5000000 0.5013081 0.3964626), wk = 0.0030864 k( 123) = ( 0.5000000 0.5012427 0.3766395), wk = 0.0030864 k( 124) = ( 0.5000000 0.5011773 0.3568164), wk = 0.0030864 k( 125) = ( 0.5000000 0.5011119 0.3369932), wk = 0.0030864 k( 126) = ( 0.5000000 0.5010465 0.3171701), wk = 0.0030864 k( 127) = ( 0.5000000 0.5009811 0.2973470), wk = 0.0030864 k( 128) = ( 0.5000000 0.5009157 0.2775239), wk = 0.0030864 k( 129) = ( 0.5000000 0.5008503 0.2577007), wk = 0.0030864 k( 130) = ( 0.5000000 0.5007848 0.2378776), wk = 0.0030864 k( 131) = ( 0.5000000 0.5007194 0.2180544), wk = 0.0030864 k( 132) = ( 0.5000000 0.5006540 0.1982313), wk = 0.0030864 k( 133) = ( 0.5000000 0.5005886 0.1784082), wk = 0.0030864 k( 134) = ( 0.5000000 0.5005232 0.1585850), wk = 0.0030864 k( 135) = ( 0.5000000 0.5004578 0.1387619), wk = 0.0030864 k( 136) = ( 0.5000000 0.5003924 0.1189388), wk = 0.0030864 k( 137) = ( 0.5000000 0.5003270 0.0991157), wk = 0.0030864 k( 138) = ( 0.5000000 0.5002616 0.0792925), wk = 0.0030864 k( 139) = ( 0.5000000 0.5001962 0.0594694), wk = 0.0030864 k( 140) = ( 0.5000000 0.5001308 0.0396463), wk = 0.0030864 k( 141) = ( 0.5000000 0.5000654 0.0198231), wk = 0.0030864 k( 142) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030864 k( 143) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030864 k( 144) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0030864 k( 145) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0030864 k( 146) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0030864 k( 147) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0030864 k( 148) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0030864 k( 149) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0030864 k( 150) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0030864 k( 151) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0030864 k( 152) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0030864 k( 153) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0030864 k( 154) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0030864 k( 155) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0030864 k( 156) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0030864 k( 157) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0030864 k( 158) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0030864 k( 159) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0030864 k( 160) = ( 0.3023256 0.5000000 0.0000000), wk = 0.0030864 k( 161) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0030864 k( 162) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0030864 k( 163) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0030864 k( 164) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0030864 k( 165) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0030864 k( 166) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0030864 k( 167) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0030864 k( 168) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0030864 k( 169) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0030864 k( 170) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0030864 k( 171) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0030864 k( 172) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0030864 k( 173) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0030864 k( 174) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0030864 k( 175) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0030864 k( 176) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0030864 k( 177) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0030864 k( 178) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0030864 k( 179) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0030864 k( 180) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0030864 k( 181) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0030864 k( 182) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0030864 k( 183) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0030864 k( 184) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0030864 k( 185) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0030864 k( 186) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 188) = ( 0.0000000 0.5000654 0.0198231), wk = 0.0030864 k( 189) = ( 0.0000000 0.5001308 0.0396463), wk = 0.0030864 k( 190) = ( 0.0000000 0.5001962 0.0594694), wk = 0.0030864 k( 191) = ( 0.0000000 0.5002616 0.0792925), wk = 0.0030864 k( 192) = ( 0.0000000 0.5003270 0.0991157), wk = 0.0030864 k( 193) = ( 0.0000000 0.5003924 0.1189388), wk = 0.0030864 k( 194) = ( 0.0000000 0.5004578 0.1387619), wk = 0.0030864 k( 195) = ( 0.0000000 0.5005232 0.1585850), wk = 0.0030864 k( 196) = ( 0.0000000 0.5005886 0.1784082), wk = 0.0030864 k( 197) = ( 0.0000000 0.5006540 0.1982313), wk = 0.0030864 k( 198) = ( 0.0000000 0.5007194 0.2180545), wk = 0.0030864 k( 199) = ( 0.0000000 0.5007848 0.2378776), wk = 0.0030864 k( 200) = ( 0.0000000 0.5008503 0.2577007), wk = 0.0030864 k( 201) = ( 0.0000000 0.5009157 0.2775238), wk = 0.0030864 k( 202) = ( 0.0000000 0.5009811 0.2973470), wk = 0.0030864 k( 203) = ( 0.0000000 0.5010465 0.3171701), wk = 0.0030864 k( 204) = ( 0.0000000 0.5011119 0.3369932), wk = 0.0030864 k( 205) = ( 0.0000000 0.5011773 0.3568164), wk = 0.0030864 k( 206) = ( 0.0000000 0.5012427 0.3766395), wk = 0.0030864 k( 207) = ( 0.0000000 0.5013081 0.3964626), wk = 0.0030864 k( 208) = ( 0.0000000 0.5013735 0.4162858), wk = 0.0030864 k( 209) = ( 0.0000000 0.5014389 0.4361089), wk = 0.0030864 k( 210) = ( 0.0000000 0.5015043 0.4559320), wk = 0.0030864 k( 211) = ( 0.0000000 0.5015697 0.4757552), wk = 0.0030864 k( 212) = ( 0.0000000 0.5016351 0.4955783), wk = 0.0030864 k( 213) = ( 0.5000000 0.4983649 0.5044217), wk = 0.0030864 k( 214) = ( 0.5000000 0.4862097 0.5043139), wk = 0.0030864 k( 215) = ( 0.5000000 0.4740544 0.5042060), wk = 0.0030864 k( 216) = ( 0.5000000 0.4618992 0.5040982), wk = 0.0030864 k( 217) = ( 0.5000000 0.4497439 0.5039903), wk = 0.0030864 k( 218) = ( 0.5000000 0.4375887 0.5038825), wk = 0.0030864 k( 219) = ( 0.5000000 0.4254334 0.5037746), wk = 0.0030864 k( 220) = ( 0.5000000 0.4132782 0.5036668), wk = 0.0030864 k( 221) = ( 0.5000000 0.4011230 0.5035589), wk = 0.0030864 k( 222) = ( 0.5000000 0.3889677 0.5034511), wk = 0.0030864 k( 223) = ( 0.5000000 0.3768125 0.5033432), wk = 0.0030864 k( 224) = ( 0.5000000 0.3646572 0.5032354), wk = 0.0030864 k( 225) = ( 0.5000000 0.3525020 0.5031275), wk = 0.0030864 k( 226) = ( 0.5000000 0.3403468 0.5030197), wk = 0.0030864 k( 227) = ( 0.5000000 0.3281915 0.5029119), wk = 0.0030864 k( 228) = ( 0.5000000 0.3160363 0.5028040), wk = 0.0030864 k( 229) = ( 0.5000000 0.3038810 0.5026962), wk = 0.0030864 k( 230) = ( 0.5000000 0.2917258 0.5025883), wk = 0.0030864 k( 231) = ( 0.5000000 0.2795705 0.5024805), wk = 0.0030864 k( 232) = ( 0.5000000 0.2674153 0.5023726), wk = 0.0030864 k( 233) = ( 0.5000000 0.2552601 0.5022648), wk = 0.0030864 k( 234) = ( 0.5000000 0.2431048 0.5021569), wk = 0.0030864 k( 235) = ( 0.5000000 0.2309496 0.5020491), wk = 0.0030864 k( 236) = ( 0.5000000 0.2187943 0.5019412), wk = 0.0030864 k( 237) = ( 0.5000000 0.2066391 0.5018334), wk = 0.0030864 k( 238) = ( 0.5000000 0.1944839 0.5017255), wk = 0.0030864 k( 239) = ( 0.5000000 0.1823286 0.5016177), wk = 0.0030864 k( 240) = ( 0.5000000 0.1701734 0.5015098), wk = 0.0030864 k( 241) = ( 0.5000000 0.1580181 0.5014020), wk = 0.0030864 k( 242) = ( 0.5000000 0.1458629 0.5012942), wk = 0.0030864 k( 243) = ( 0.5000000 0.1337077 0.5011863), wk = 0.0030864 k( 244) = ( 0.5000000 0.1215524 0.5010785), wk = 0.0030864 k( 245) = ( 0.5000000 0.1093972 0.5009706), wk = 0.0030864 k( 246) = ( 0.5000000 0.0972419 0.5008628), wk = 0.0030864 k( 247) = ( 0.5000000 0.0850867 0.5007549), wk = 0.0030864 k( 248) = ( 0.5000000 0.0729314 0.5006471), wk = 0.0030864 k( 249) = ( 0.5000000 0.0607762 0.5005392), wk = 0.0030864 k( 250) = ( 0.5000000 0.0486210 0.5004314), wk = 0.0030864 k( 251) = ( 0.5000000 0.0364657 0.5003235), wk = 0.0030864 k( 252) = ( 0.5000000 0.0243105 0.5002157), wk = 0.0030864 k( 253) = ( 0.5000000 0.0121552 0.5001079), wk = 0.0030864 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 255) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 256) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0030864 k( 257) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0030864 k( 258) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0030864 k( 259) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0030864 k( 260) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0030864 k( 261) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0030864 k( 262) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0030864 k( 263) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0030864 k( 264) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0030864 k( 265) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0030864 k( 266) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0030864 k( 267) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0030864 k( 268) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0030864 k( 269) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0030864 k( 270) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0030864 k( 271) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0030864 k( 272) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0030864 k( 273) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0030864 k( 274) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0030864 k( 275) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0030864 k( 276) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0030864 k( 277) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0030864 k( 278) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0030864 k( 279) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0030864 k( 280) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 281) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 282) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0030864 k( 283) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0030864 k( 284) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0030864 k( 285) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0030864 k( 286) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0030864 k( 287) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0030864 k( 288) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0030864 k( 289) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0030864 k( 290) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0030864 k( 291) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0030864 k( 292) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0030864 k( 293) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0030864 k( 294) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0030864 k( 295) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0030864 k( 296) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0030864 k( 297) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0030864 k( 298) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0030864 k( 299) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0030864 k( 300) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0030864 k( 301) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0030864 k( 302) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0030864 k( 303) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0030864 k( 304) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0030864 k( 305) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0030864 k( 306) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0030864 k( 307) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0030864 k( 308) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0030864 k( 309) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0030864 k( 310) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0030864 k( 311) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0030864 k( 312) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0030864 k( 313) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0030864 k( 314) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0030864 k( 315) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0030864 k( 316) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0030864 k( 317) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0030864 k( 318) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0030864 k( 319) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0030864 k( 320) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0030864 k( 321) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0030864 k( 322) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0030864 k( 323) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0030864 k( 324) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 Dense grid: 85101 G-vectors FFT dimensions: ( 45, 48, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 456, 56) NL pseudopotentials 0.39 Mb ( 228, 112) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1776) G-vector shells 0.01 Mb ( 1738) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.56 Mb ( 456, 224) Each subspace H/S matrix 0.77 Mb ( 224, 224) Each matrix 0.19 Mb ( 112, 2, 56) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Na3Li3N2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 42.0 secs Computing kpt #: 3 total cpu time spent up to now is 44.5 secs Computing kpt #: 4 total cpu time spent up to now is 46.7 secs Computing kpt #: 5 total cpu time spent up to now is 49.0 secs Computing kpt #: 6 total cpu time spent up to now is 51.3 secs Computing kpt #: 7 total cpu time spent up to now is 53.6 secs Computing kpt #: 8 total cpu time spent up to now is 55.9 secs Computing kpt #: 9 total cpu time spent up to now is 58.5 secs Computing kpt #: 10 total cpu time spent up to now is 61.8 secs Computing kpt #: 11 total cpu time spent up to now is 64.6 secs Computing kpt #: 12 total cpu time spent up to now is 67.2 secs Computing kpt #: 13 total cpu time spent up to now is 70.5 secs Computing kpt #: 14 total cpu time spent up to now is 73.1 secs Computing kpt #: 15 total cpu time spent up to now is 75.7 secs Computing kpt #: 16 total cpu time spent up to now is 78.5 secs Computing kpt #: 17 total cpu time spent up to now is 81.0 secs Computing kpt #: 18 total cpu time spent up to now is 83.5 secs Computing kpt #: 19 total cpu time spent up to now is 86.0 secs Computing kpt #: 20 total cpu time spent up to now is 88.6 secs Computing kpt #: 21 total cpu time spent up to now is 91.4 secs Computing kpt #: 22 total cpu time spent up to now is 94.0 secs Computing kpt #: 23 total cpu time spent up to now is 96.5 secs Computing kpt #: 24 total cpu time spent up to now is 99.0 secs Computing kpt #: 25 total cpu time spent up to now is 101.7 secs Computing kpt #: 26 total cpu time spent up to now is 104.3 secs Computing kpt #: 27 total cpu time spent up to now is 106.8 secs Computing kpt #: 28 total cpu time spent up to now is 109.4 secs Computing kpt #: 29 total cpu time spent up to now is 112.1 secs Computing kpt #: 30 total cpu time spent up to now is 115.2 secs Computing kpt #: 31 total cpu time spent up to now is 118.5 secs Computing kpt #: 32 total cpu time spent up to now is 121.2 secs Computing kpt #: 33 total cpu time spent up to now is 124.3 secs Computing kpt #: 34 total cpu time spent up to now is 126.9 secs Computing kpt #: 35 total cpu time spent up to now is 129.6 secs Computing kpt #: 36 total cpu time spent up to now is 132.3 secs Computing kpt #: 37 total cpu time spent up to now is 135.0 secs Computing kpt #: 38 total cpu time spent up to now is 138.0 secs Computing kpt #: 39 total cpu time spent up to now is 140.7 secs Computing kpt #: 40 total cpu time spent up to now is 143.7 secs Computing kpt #: 41 total cpu time spent up to now is 146.9 secs Computing kpt #: 42 total cpu time spent up to now is 150.7 secs Computing kpt #: 43 total cpu time spent up to now is 153.5 secs Computing kpt #: 44 total cpu time spent up to now is 156.8 secs Computing kpt #: 45 total cpu time spent up to now is 159.5 secs Computing kpt #: 46 total cpu time spent up to now is 162.2 secs Computing kpt #: 47 total cpu time spent up to now is 165.1 secs Computing kpt #: 48 total cpu time spent up to now is 167.8 secs Computing kpt #: 49 total cpu time spent up to now is 170.5 secs Computing kpt #: 50 total cpu time spent up to now is 173.1 secs Computing kpt #: 51 total cpu time spent up to now is 176.0 secs Computing kpt #: 52 total cpu time spent up to now is 178.7 secs Computing kpt #: 53 total cpu time spent up to now is 181.4 secs Computing kpt #: 54 total cpu time spent up to now is 184.0 secs Computing kpt #: 55 total cpu time spent up to now is 186.3 secs Computing kpt #: 56 total cpu time spent up to now is 188.7 secs Computing kpt #: 57 total cpu time spent up to now is 191.0 secs Computing kpt #: 58 total cpu time spent up to now is 193.4 secs Computing kpt #: 59 total cpu time spent up to now is 195.7 secs Computing kpt #: 60 total cpu time spent up to now is 198.2 secs Computing kpt #: 61 total cpu time spent up to now is 200.7 secs Computing kpt #: 62 total cpu time spent up to now is 203.2 secs Computing kpt #: 63 total cpu time spent up to now is 205.6 secs Computing kpt #: 64 total cpu time spent up to now is 208.0 secs Computing kpt #: 65 total cpu time spent up to now is 210.3 secs Computing kpt #: 66 total cpu time spent up to now is 213.6 secs Computing kpt #: 67 total cpu time spent up to now is 216.9 secs Computing kpt #: 68 total cpu time spent up to now is 220.1 secs Computing kpt #: 69 total cpu time spent up to now is 222.4 secs Computing kpt #: 70 total cpu time spent up to now is 224.8 secs Computing kpt #: 71 total cpu time spent up to now is 227.2 secs Computing kpt #: 72 total cpu time spent up to now is 229.7 secs Computing kpt #: 73 total cpu time spent up to now is 232.1 secs Computing kpt #: 74 total cpu time spent up to now is 234.5 secs Computing kpt #: 75 total cpu time spent up to now is 236.9 secs Computing kpt #: 76 total cpu time spent up to now is 239.3 secs Computing kpt #: 77 total cpu time spent up to now is 241.7 secs Computing kpt #: 78 total cpu time spent up to now is 244.1 secs Computing kpt #: 79 total cpu time spent up to now is 246.6 secs Computing kpt #: 80 total cpu time spent up to now is 249.1 secs Computing kpt #: 81 total cpu time spent up to now is 251.7 secs Computing kpt #: 82 total cpu time spent up to now is 254.2 secs Computing kpt #: 83 total cpu time spent up to now is 256.8 secs Computing kpt #: 84 total cpu time spent up to now is 259.3 secs Computing kpt #: 85 total cpu time spent up to now is 262.0 secs Computing kpt #: 86 total cpu time spent up to now is 264.6 secs Computing kpt #: 87 total cpu time spent up to now is 267.0 secs Computing kpt #: 88 total cpu time spent up to now is 269.5 secs Computing kpt #: 89 total cpu time spent up to now is 272.1 secs Computing kpt #: 90 total cpu time spent up to now is 274.7 secs Computing kpt #: 91 total cpu time spent up to now is 277.8 secs Computing kpt #: 92 total cpu time spent up to now is 280.4 secs Computing kpt #: 93 total cpu time spent up to now is 283.0 secs Computing kpt #: 94 total cpu time spent up to now is 285.7 secs Computing kpt #: 95 total cpu time spent up to now is 288.2 secs Computing kpt #: 96 total cpu time spent up to now is 290.7 secs Computing kpt #: 97 total cpu time spent up to now is 293.1 secs Computing kpt #: 98 total cpu time spent up to now is 295.4 secs Computing kpt #: 99 total cpu time spent up to now is 297.7 secs Computing kpt #: 100 total cpu time spent up to now is 300.1 secs Computing kpt #: 101 total cpu time spent up to now is 302.6 secs Computing kpt #: 102 total cpu time spent up to now is 305.0 secs Computing kpt #: 103 total cpu time spent up to now is 307.5 secs Computing kpt #: 104 total cpu time spent up to now is 310.0 secs Computing kpt #: 105 total cpu time spent up to now is 312.4 secs Computing kpt #: 106 total cpu time spent up to now is 314.6 secs Computing kpt #: 107 total cpu time spent up to now is 317.0 secs Computing kpt #: 108 total cpu time spent up to now is 319.2 secs Computing kpt #: 109 total cpu time spent up to now is 321.4 secs Computing kpt #: 110 total cpu time spent up to now is 323.6 secs Computing kpt #: 111 total cpu time spent up to now is 326.2 secs Computing kpt #: 112 total cpu time spent up to now is 328.6 secs Computing kpt #: 113 total cpu time spent up to now is 331.5 secs Computing kpt #: 114 total cpu time spent up to now is 333.8 secs Computing kpt #: 115 total cpu time spent up to now is 336.1 secs Computing kpt #: 116 total cpu time spent up to now is 338.4 secs Computing kpt #: 117 total cpu time spent up to now is 340.8 secs Computing kpt #: 118 total cpu time spent up to now is 343.0 secs Computing kpt #: 119 total cpu time spent up to now is 345.4 secs Computing kpt #: 120 total cpu time spent up to now is 347.8 secs Computing kpt #: 121 total cpu time spent up to now is 350.3 secs Computing kpt #: 122 total cpu time spent up to now is 352.7 secs Computing kpt #: 123 total cpu time spent up to now is 355.2 secs Computing kpt #: 124 total cpu time spent up to now is 358.0 secs Computing kpt #: 125 total cpu time spent up to now is 361.0 secs Computing kpt #: 126 total cpu time spent up to now is 364.0 secs Computing kpt #: 127 total cpu time spent up to now is 367.0 secs Computing kpt #: 128 total cpu time spent up to now is 370.1 secs Computing kpt #: 129 total cpu time spent up to now is 373.5 secs Computing kpt #: 130 total cpu time spent up to now is 377.2 secs Computing kpt #: 131 total cpu time spent up to now is 381.1 secs Computing kpt #: 132 total cpu time spent up to now is 384.4 secs Computing kpt #: 133 total cpu time spent up to now is 389.0 secs Computing kpt #: 134 total cpu time spent up to now is 392.5 secs Computing kpt #: 135 total cpu time spent up to now is 395.8 secs Computing kpt #: 136 total cpu time spent up to now is 399.2 secs Computing kpt #: 137 total cpu time spent up to now is 402.4 secs Computing kpt #: 138 total cpu time spent up to now is 405.8 secs Computing kpt #: 139 total cpu time spent up to now is 409.2 secs Computing kpt #: 140 total cpu time spent up to now is 412.8 secs Computing kpt #: 141 total cpu time spent up to now is 417.4 secs Computing kpt #: 142 total cpu time spent up to now is 421.7 secs Computing kpt #: 143 total cpu time spent up to now is 426.3 secs Computing kpt #: 144 total cpu time spent up to now is 430.6 secs Computing kpt #: 145 total cpu time spent up to now is 434.9 secs Computing kpt #: 146 total cpu time spent up to now is 438.9 secs Computing kpt #: 147 total cpu time spent up to now is 442.8 secs Computing kpt #: 148 total cpu time spent up to now is 446.7 secs Computing kpt #: 149 total cpu time spent up to now is 450.0 secs Computing kpt #: 150 total cpu time spent up to now is 453.7 secs Computing kpt #: 151 total cpu time spent up to now is 456.9 secs Computing kpt #: 152 total cpu time spent up to now is 459.9 secs Computing kpt #: 153 total cpu time spent up to now is 462.5 secs Computing kpt #: 154 total cpu time spent up to now is 465.2 secs Computing kpt #: 155 total cpu time spent up to now is 467.6 secs Computing kpt #: 156 total cpu time spent up to now is 471.3 secs Computing kpt #: 157 total cpu time spent up to now is 473.6 secs Computing kpt #: 158 total cpu time spent up to now is 475.9 secs Computing kpt #: 159 total cpu time spent up to now is 478.2 secs Computing kpt #: 160 total cpu time spent up to now is 480.5 secs Computing kpt #: 161 total cpu time spent up to now is 483.3 secs Computing kpt #: 162 total cpu time spent up to now is 485.6 secs Computing kpt #: 163 total cpu time spent up to now is 487.9 secs Computing kpt #: 164 total cpu time spent up to now is 490.1 secs Computing kpt #: 165 total cpu time spent up to now is 492.5 secs Computing kpt #: 166 total cpu time spent up to now is 494.7 secs Computing kpt #: 167 total cpu time spent up to now is 497.0 secs Computing kpt #: 168 total cpu time spent up to now is 499.2 secs Computing kpt #: 169 total cpu time spent up to now is 501.7 secs Computing kpt #: 170 total cpu time spent up to now is 504.0 secs Computing kpt #: 171 total cpu time spent up to now is 506.5 secs Computing kpt #: 172 total cpu time spent up to now is 508.9 secs Computing kpt #: 173 total cpu time spent up to now is 512.1 secs Computing kpt #: 174 total cpu time spent up to now is 515.9 secs Computing kpt #: 175 total cpu time spent up to now is 518.9 secs Computing kpt #: 176 total cpu time spent up to now is 521.2 secs Computing kpt #: 177 total cpu time spent up to now is 523.4 secs Computing kpt #: 178 total cpu time spent up to now is 525.6 secs Computing kpt #: 179 total cpu time spent up to now is 527.8 secs Computing kpt #: 180 total cpu time spent up to now is 530.0 secs Computing kpt #: 181 total cpu time spent up to now is 532.5 secs Computing kpt #: 182 total cpu time spent up to now is 535.0 secs Computing kpt #: 183 total cpu time spent up to now is 537.1 secs Computing kpt #: 184 total cpu time spent up to now is 539.4 secs Computing kpt #: 185 total cpu time spent up to now is 541.4 secs Computing kpt #: 186 total cpu time spent up to now is 543.4 secs Computing kpt #: 187 total cpu time spent up to now is 545.6 secs Computing kpt #: 188 total cpu time spent up to now is 547.8 secs Computing kpt #: 189 total cpu time spent up to now is 549.7 secs Computing kpt #: 190 total cpu time spent up to now is 551.9 secs Computing kpt #: 191 total cpu time spent up to now is 554.2 secs Computing kpt #: 192 total cpu time spent up to now is 556.4 secs Computing kpt #: 193 total cpu time spent up to now is 558.6 secs Computing kpt #: 194 total cpu time spent up to now is 560.8 secs Computing kpt #: 195 total cpu time spent up to now is 563.0 secs Computing kpt #: 196 total cpu time spent up to now is 565.3 secs Computing kpt #: 197 total cpu time spent up to now is 567.5 secs Computing kpt #: 198 total cpu time spent up to now is 569.7 secs Computing kpt #: 199 total cpu time spent up to now is 571.9 secs Computing kpt #: 200 total cpu time spent up to now is 574.2 secs Computing kpt #: 201 total cpu time spent up to now is 576.5 secs Computing kpt #: 202 total cpu time spent up to now is 578.7 secs Computing kpt #: 203 total cpu time spent up to now is 581.0 secs Computing kpt #: 204 total cpu time spent up to now is 583.4 secs Computing kpt #: 205 total cpu time spent up to now is 585.7 secs Computing kpt #: 206 total cpu time spent up to now is 588.0 secs Computing kpt #: 207 total cpu time spent up to now is 590.3 secs Computing kpt #: 208 total cpu time spent up to now is 593.0 secs Computing kpt #: 209 total cpu time spent up to now is 595.4 secs Computing kpt #: 210 total cpu time spent up to now is 597.7 secs Computing kpt #: 211 total cpu time spent up to now is 600.1 secs Computing kpt #: 212 total cpu time spent up to now is 602.5 secs Computing kpt #: 213 total cpu time spent up to now is 604.7 secs Computing kpt #: 214 total cpu time spent up to now is 607.0 secs Computing kpt #: 215 total cpu time spent up to now is 609.4 secs Computing kpt #: 216 total cpu time spent up to now is 611.8 secs Computing kpt #: 217 total cpu time spent up to now is 614.2 secs Computing kpt #: 218 total cpu time spent up to now is 616.7 secs Computing kpt #: 219 total cpu time spent up to now is 619.0 secs Computing kpt #: 220 total cpu time spent up to now is 621.4 secs Computing kpt #: 221 total cpu time spent up to now is 623.8 secs Computing kpt #: 222 total cpu time spent up to now is 626.6 secs Computing kpt #: 223 total cpu time spent up to now is 629.0 secs Computing kpt #: 224 total cpu time spent up to now is 631.4 secs Computing kpt #: 225 total cpu time spent up to now is 633.8 secs Computing kpt #: 226 total cpu time spent up to now is 636.3 secs Computing kpt #: 227 total cpu time spent up to now is 638.8 secs Computing kpt #: 228 total cpu time spent up to now is 641.2 secs Computing kpt #: 229 total cpu time spent up to now is 643.6 secs Computing kpt #: 230 total cpu time spent up to now is 646.2 secs Computing kpt #: 231 total cpu time spent up to now is 648.7 secs Computing kpt #: 232 total cpu time spent up to now is 651.2 secs Computing kpt #: 233 total cpu time spent up to now is 653.7 secs Computing kpt #: 234 total cpu time spent up to now is 656.4 secs Computing kpt #: 235 total cpu time spent up to now is 659.6 secs Computing kpt #: 236 total cpu time spent up to now is 662.6 secs Computing kpt #: 237 total cpu time spent up to now is 665.8 secs Computing kpt #: 238 total cpu time spent up to now is 668.8 secs Computing kpt #: 239 total cpu time spent up to now is 671.9 secs Computing kpt #: 240 total cpu time spent up to now is 675.0 secs Computing kpt #: 241 total cpu time spent up to now is 678.1 secs Computing kpt #: 242 total cpu time spent up to now is 681.2 secs Computing kpt #: 243 total cpu time spent up to now is 683.8 secs Computing kpt #: 244 total cpu time spent up to now is 686.3 secs Computing kpt #: 245 total cpu time spent up to now is 688.8 secs Computing kpt #: 246 total cpu time spent up to now is 691.3 secs Computing kpt #: 247 total cpu time spent up to now is 693.8 secs Computing kpt #: 248 total cpu time spent up to now is 696.3 secs Computing kpt #: 249 total cpu time spent up to now is 698.6 secs Computing kpt #: 250 total cpu time spent up to now is 700.8 secs Computing kpt #: 251 total cpu time spent up to now is 702.8 secs Computing kpt #: 252 total cpu time spent up to now is 704.7 secs Computing kpt #: 253 total cpu time spent up to now is 706.8 secs Computing kpt #: 254 total cpu time spent up to now is 708.7 secs Computing kpt #: 255 total cpu time spent up to now is 712.1 secs Computing kpt #: 256 total cpu time spent up to now is 714.1 secs Computing kpt #: 257 total cpu time spent up to now is 716.4 secs Computing kpt #: 258 total cpu time spent up to now is 718.6 secs Computing kpt #: 259 total cpu time spent up to now is 720.8 secs Computing kpt #: 260 total cpu time spent up to now is 723.1 secs Computing kpt #: 261 total cpu time spent up to now is 725.4 secs Computing kpt #: 262 total cpu time spent up to now is 727.9 secs Computing kpt #: 263 total cpu time spent up to now is 730.3 secs Computing kpt #: 264 total cpu time spent up to now is 732.6 secs Computing kpt #: 265 total cpu time spent up to now is 735.1 secs Computing kpt #: 266 total cpu time spent up to now is 737.6 secs Computing kpt #: 267 total cpu time spent up to now is 740.1 secs Computing kpt #: 268 total cpu time spent up to now is 742.6 secs Computing kpt #: 269 total cpu time spent up to now is 745.0 secs Computing kpt #: 270 total cpu time spent up to now is 747.4 secs Computing kpt #: 271 total cpu time spent up to now is 749.9 secs Computing kpt #: 272 total cpu time spent up to now is 752.3 secs Computing kpt #: 273 total cpu time spent up to now is 754.6 secs Computing kpt #: 274 total cpu time spent up to now is 756.9 secs Computing kpt #: 275 total cpu time spent up to now is 759.7 secs Computing kpt #: 276 total cpu time spent up to now is 762.2 secs Computing kpt #: 277 total cpu time spent up to now is 764.7 secs Computing kpt #: 278 total cpu time spent up to now is 767.3 secs Computing kpt #: 279 total cpu time spent up to now is 769.7 secs Computing kpt #: 280 total cpu time spent up to now is 772.2 secs Computing kpt #: 281 total cpu time spent up to now is 775.9 secs Computing kpt #: 282 total cpu time spent up to now is 778.7 secs Computing kpt #: 283 total cpu time spent up to now is 781.3 secs Computing kpt #: 284 total cpu time spent up to now is 783.8 secs Computing kpt #: 285 total cpu time spent up to now is 786.5 secs Computing kpt #: 286 total cpu time spent up to now is 789.1 secs Computing kpt #: 287 total cpu time spent up to now is 791.7 secs Computing kpt #: 288 total cpu time spent up to now is 794.5 secs Computing kpt #: 289 total cpu time spent up to now is 797.3 secs Computing kpt #: 290 total cpu time spent up to now is 799.9 secs Computing kpt #: 291 total cpu time spent up to now is 802.7 secs Computing kpt #: 292 total cpu time spent up to now is 805.6 secs Computing kpt #: 293 total cpu time spent up to now is 808.3 secs Computing kpt #: 294 total cpu time spent up to now is 811.3 secs Computing kpt #: 295 total cpu time spent up to now is 815.4 secs Computing kpt #: 296 total cpu time spent up to now is 818.6 secs Computing kpt #: 297 total cpu time spent up to now is 821.2 secs Computing kpt #: 298 total cpu time spent up to now is 823.9 secs Computing kpt #: 299 total cpu time spent up to now is 826.5 secs Computing kpt #: 300 total cpu time spent up to now is 829.0 secs Computing kpt #: 301 total cpu time spent up to now is 831.7 secs Computing kpt #: 302 total cpu time spent up to now is 834.3 secs Computing kpt #: 303 total cpu time spent up to now is 836.8 secs Computing kpt #: 304 total cpu time spent up to now is 839.3 secs Computing kpt #: 305 total cpu time spent up to now is 842.0 secs Computing kpt #: 306 total cpu time spent up to now is 844.6 secs Computing kpt #: 307 total cpu time spent up to now is 847.3 secs Computing kpt #: 308 total cpu time spent up to now is 849.9 secs Computing kpt #: 309 total cpu time spent up to now is 852.4 secs Computing kpt #: 310 total cpu time spent up to now is 854.9 secs Computing kpt #: 311 total cpu time spent up to now is 857.3 secs Computing kpt #: 312 total cpu time spent up to now is 859.6 secs Computing kpt #: 313 total cpu time spent up to now is 861.9 secs Computing kpt #: 314 total cpu time spent up to now is 864.2 secs Computing kpt #: 315 total cpu time spent up to now is 866.4 secs Computing kpt #: 316 total cpu time spent up to now is 868.7 secs Computing kpt #: 317 total cpu time spent up to now is 871.0 secs Computing kpt #: 318 total cpu time spent up to now is 873.3 secs Computing kpt #: 319 total cpu time spent up to now is 875.6 secs Computing kpt #: 320 total cpu time spent up to now is 877.8 secs Computing kpt #: 321 total cpu time spent up to now is 880.1 secs Computing kpt #: 322 total cpu time spent up to now is 882.3 secs Computing kpt #: 323 total cpu time spent up to now is 884.3 secs Computing kpt #: 324 total cpu time spent up to now is 886.6 secs ethr = 2.17E-11, avg # of iterations = 31.4 total cpu time spent up to now is 887.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10685 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7313 -39.7313 -39.6175 -39.6175 -18.7088 -18.7088 -18.5133 -18.5133 -18.3896 -18.3896 -18.1730 -18.1730 -18.0579 -18.0579 -17.8150 -17.8150 -17.7486 -17.7486 -17.6459 -17.6459 -17.5703 -17.5703 -6.9012 -6.9012 -6.4075 -6.4075 2.3367 2.3367 3.2750 3.2750 3.7767 3.7767 4.0938 4.0938 4.5801 4.5801 4.6748 4.6748 5.0444 5.0444 8.5811 8.5811 8.7121 8.7121 12.9321 12.9321 13.3586 13.3586 k = 0.0000 0.0000 0.0116 ( 10678 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7313 -39.7313 -39.6175 -39.6175 -18.7088 -18.7088 -18.5133 -18.5132 -18.3896 -18.3895 -18.1733 -18.1725 -18.0581 -18.0577 -17.8151 -17.8149 -17.7487 -17.7486 -17.6460 -17.6458 -17.5703 -17.5702 -6.9008 -6.9008 -6.4080 -6.4079 2.3380 2.3380 3.2753 3.2753 3.7762 3.7762 4.0938 4.0938 4.5677 4.5677 4.6747 4.6747 5.0571 5.0571 8.5393 8.5396 8.7550 8.7553 12.9328 12.9329 13.3591 13.3591 k = 0.0000 0.0000 0.0233 ( 10677 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7088 -18.7088 -18.5132 -18.5131 -18.3897 -18.3894 -18.1737 -18.1721 -18.0584 -18.0575 -17.8153 -17.8148 -17.7487 -17.7485 -17.6460 -17.6457 -17.5705 -17.5703 -6.8995 -6.8994 -6.4095 -6.4094 2.3417 2.3417 3.2764 3.2764 3.7748 3.7748 4.0939 4.0939 4.5338 4.5338 4.6745 4.6745 5.0917 5.0918 8.4656 8.4659 8.8327 8.8331 12.9351 12.9351 13.3607 13.3607 k = 0.0000 0.0000 0.0349 ( 10679 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7088 -18.7088 -18.5131 -18.5130 -18.3898 -18.3893 -18.1741 -18.1717 -18.0587 -18.0573 -17.8155 -17.8147 -17.7488 -17.7485 -17.6460 -17.6456 -17.5707 -17.5704 -6.8972 -6.8971 -6.4120 -6.4119 2.3479 2.3479 3.2782 3.2782 3.7725 3.7726 4.0940 4.0940 4.4852 4.4853 4.6742 4.6742 5.1415 5.1416 8.3869 8.3873 8.9181 8.9185 12.9386 12.9387 13.3632 13.3632 k = 0.0000 0.0000 0.0465 ( 10682 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7088 -18.7088 -18.5130 -18.5128 -18.3899 -18.3892 -18.1744 -18.1712 -18.0589 -18.0571 -17.8156 -17.8146 -17.7489 -17.7485 -17.6460 -17.6454 -17.5710 -17.5706 -6.8941 -6.8940 -6.4155 -6.4153 2.3565 2.3566 3.2807 3.2807 3.7693 3.7694 4.0941 4.0941 4.4277 4.4278 4.6739 4.6739 5.2007 5.2008 8.3076 8.3080 9.0068 9.0072 12.9434 12.9434 13.3668 13.3668 k = 0.0000 0.0000 0.0582 ( 10680 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7088 -18.7087 -18.5128 -18.5126 -18.3900 -18.3892 -18.1746 -18.1708 -18.0592 -18.0569 -17.8158 -17.8145 -17.7490 -17.7485 -17.6460 -17.6452 -17.5713 -17.5709 -6.8901 -6.8899 -6.4199 -6.4197 2.3677 2.3677 3.2839 3.2839 3.7653 3.7653 4.0942 4.0942 4.3650 4.3651 4.6735 4.6735 5.2657 5.2657 8.2286 8.2289 9.0980 9.0983 12.9490 12.9490 13.3714 13.3714 k = 0.0000 0.0000 0.0698 ( 10679 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7088 -18.7087 -18.5126 -18.5123 -18.3901 -18.3891 -18.1748 -18.1704 -18.0594 -18.0568 -17.8160 -17.8145 -17.7491 -17.7485 -17.6460 -17.6450 -17.5717 -17.5712 -6.8852 -6.8851 -6.4252 -6.4250 2.3812 2.3813 3.2878 3.2878 3.7604 3.7605 4.0944 4.0944 4.2992 4.2993 4.6731 4.6731 5.3342 5.3342 8.1502 8.1505 9.1911 9.1915 12.9548 12.9548 13.3769 13.3769 k = 0.0000 0.0000 0.0814 ( 10671 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7088 -18.7087 -18.5124 -18.5120 -18.3902 -18.3890 -18.1750 -18.1699 -18.0597 -18.0567 -17.8161 -17.8145 -17.7492 -17.7485 -17.6459 -17.6448 -17.5721 -17.5716 -6.8795 -6.8793 -6.4315 -6.4313 2.3971 2.3972 3.2924 3.2924 3.7547 3.7548 4.0946 4.0946 4.2316 4.2318 4.6727 4.6727 5.4049 5.4050 8.0725 8.0729 9.2861 9.2865 12.9600 12.9602 13.3833 13.3833 k = 0.0000 0.0000 0.0931 ( 10671 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7088 -18.7087 -18.5121 -18.5117 -18.3903 -18.3890 -18.1751 -18.1696 -18.0599 -18.0567 -17.8163 -17.8145 -17.7493 -17.7486 -17.6458 -17.6446 -17.5726 -17.5720 -6.8730 -6.8728 -6.4386 -6.4384 2.4155 2.4156 3.2975 3.2976 3.7482 3.7483 4.0948 4.0948 4.1632 4.1634 4.6722 4.6722 5.4772 5.4772 7.9956 7.9959 9.3830 9.3834 12.9633 12.9637 13.3905 13.3905 k = 0.0000 0.0000 0.1047 ( 10672 PWs) bands (ev): -46.3837 -46.3837 -46.0678 -46.0678 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7087 -18.7087 -18.5118 -18.5114 -18.3904 -18.3890 -18.1752 -18.1692 -18.0601 -18.0566 -17.8165 -17.8145 -17.7494 -17.7486 -17.6457 -17.6444 -17.5731 -17.5724 -6.8657 -6.8654 -6.4466 -6.4464 2.4361 2.4363 3.3033 3.3033 3.7410 3.7411 4.0924 4.0926 4.0970 4.0970 4.6716 4.6716 5.5504 5.5504 7.9194 7.9197 9.4817 9.4820 12.9623 12.9630 13.3986 13.3986 k = 0.0000 0.0000 0.1163 ( 10676 PWs) bands (ev): -46.3837 -46.3837 -46.0679 -46.0679 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7087 -18.7086 -18.5114 -18.5110 -18.3904 -18.3890 -18.1752 -18.1689 -18.0603 -18.0566 -17.8166 -17.8146 -17.7495 -17.7487 -17.6455 -17.6442 -17.5736 -17.5729 -6.8576 -6.8573 -6.4554 -6.4551 2.4591 2.4592 3.3096 3.3097 3.7331 3.7333 4.0252 4.0254 4.0955 4.0955 4.6711 4.6711 5.6242 5.6243 7.8439 7.8442 9.5822 9.5825 12.9528 12.9540 13.4074 13.4074 k = 0.0000 0.0000 0.1280 ( 10668 PWs) bands (ev): -46.3837 -46.3837 -46.0679 -46.0679 -45.6997 -45.6997 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7087 -18.7086 -18.5111 -18.5107 -18.3905 -18.3890 -18.1751 -18.1686 -18.0604 -18.0566 -17.8168 -17.8146 -17.7496 -17.7488 -17.6454 -17.6440 -17.5741 -17.5734 -6.8488 -6.8485 -6.4650 -6.4646 2.4843 2.4845 3.3165 3.3165 3.7246 3.7248 3.9566 3.9568 4.0957 4.0957 4.6705 4.6705 5.6984 5.6985 7.7691 7.7694 9.6845 9.6848 12.9284 12.9302 13.3759 13.3773 k = 0.0000 0.0000 0.1396 ( 10657 PWs) bands (ev): -46.3837 -46.3837 -46.0679 -46.0679 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7087 -18.7086 -18.5107 -18.5103 -18.3905 -18.3890 -18.1751 -18.1684 -18.0606 -18.0567 -17.8169 -17.8147 -17.7497 -17.7488 -17.6452 -17.6438 -17.5747 -17.5740 -6.8393 -6.8390 -6.4752 -6.4748 2.5118 2.5120 3.3238 3.3238 3.7155 3.7157 3.8885 3.8888 4.0960 4.0960 4.6698 4.6698 5.7729 5.7729 7.6948 7.6951 9.7887 9.7889 12.8812 12.8835 13.3124 13.3144 k = 0.0000 0.0000 0.1512 ( 10661 PWs) bands (ev): -46.3836 -46.3836 -46.0679 -46.0679 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7086 -18.7085 -18.5103 -18.5099 -18.3905 -18.3890 -18.1749 -18.1682 -18.0607 -18.0568 -17.8170 -17.8148 -17.7498 -17.7489 -17.6450 -17.6436 -17.5752 -17.5745 -6.8291 -6.8288 -6.4861 -6.4857 2.5414 2.5416 3.3315 3.3315 3.7056 3.7060 3.8212 3.8217 4.0963 4.0963 4.6692 4.6692 5.8473 5.8474 7.6211 7.6214 9.8946 9.8948 12.8079 12.8104 13.2741 13.2765 k = 0.0000 0.0000 0.1629 ( 10655 PWs) bands (ev): -46.3836 -46.3836 -46.0679 -46.0679 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7086 -18.7085 -18.5100 -18.5096 -18.3905 -18.3890 -18.1747 -18.1681 -18.0608 -18.0569 -17.8171 -17.8150 -17.7499 -17.7490 -17.6448 -17.6434 -17.5757 -17.5751 -6.8184 -6.8180 -6.4976 -6.4972 2.5731 2.5733 3.3395 3.3395 3.6942 3.6948 3.7559 3.7565 4.0966 4.0966 4.6686 4.6686 5.9217 5.9218 7.5479 7.5482 10.0023 10.0025 12.7126 12.7150 13.2571 13.2595 k = 0.0000 0.0000 0.1745 ( 10662 PWs) bands (ev): -46.3836 -46.3836 -46.0680 -46.0680 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7086 -18.7085 -18.5096 -18.5092 -18.3905 -18.3891 -18.1745 -18.1681 -18.0608 -18.0570 -17.8172 -17.8151 -17.7499 -17.7491 -17.6446 -17.6432 -17.5763 -17.5756 -6.8071 -6.8067 -6.5096 -6.5092 2.6068 2.6070 3.3477 3.3478 3.6724 3.6735 3.7013 3.7025 4.0969 4.0969 4.6680 4.6680 5.9960 5.9960 7.4752 7.4754 10.1118 10.1119 12.6028 12.6051 13.2538 13.2562 k = 0.0000 0.0000 0.1861 ( 10658 PWs) bands (ev): -46.3836 -46.3836 -46.0680 -46.0680 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7085 -18.7085 -18.5092 -18.5089 -18.3905 -18.3891 -18.1742 -18.1681 -18.0608 -18.0572 -17.8172 -17.8153 -17.7500 -17.7492 -17.6444 -17.6431 -17.5767 -17.5761 -6.7954 -6.7950 -6.5220 -6.5216 2.6425 2.6427 3.3561 3.3561 3.6177 3.6181 3.6818 3.6823 4.0971 4.0971 4.6674 4.6674 6.0700 6.0700 7.4029 7.4031 10.2229 10.2230 12.4844 12.4864 13.2586 13.2607 k = 0.0000 0.0000 0.1978 ( 10657 PWs) bands (ev): -46.3836 -46.3836 -46.0680 -46.0680 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7085 -18.7085 -18.5089 -18.5086 -18.3905 -18.3892 -18.1738 -18.1681 -18.0608 -18.0574 -17.8172 -17.8154 -17.7501 -17.7493 -17.6442 -17.6430 -17.5772 -17.5767 -6.7832 -6.7828 -6.5348 -6.5344 2.6800 2.6802 3.3645 3.3645 3.5556 3.5557 3.6707 3.6709 4.0974 4.0974 4.6669 4.6669 6.1437 6.1437 7.3311 7.3313 10.3357 10.3357 12.3609 12.3627 13.2676 13.2696 k = 0.0000 0.0000 0.2094 ( 10653 PWs) bands (ev): -46.3836 -46.3836 -46.0680 -46.0680 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7085 -18.7084 -18.5086 -18.5083 -18.3905 -18.3893 -18.1735 -18.1682 -18.0607 -18.0576 -17.8172 -17.8156 -17.7501 -17.7494 -17.6440 -17.6429 -17.5776 -17.5771 -6.7708 -6.7704 -6.5478 -6.5474 2.7192 2.7194 3.3726 3.3727 3.4937 3.4937 3.6607 3.6608 4.0976 4.0976 4.6664 4.6664 6.2169 6.2169 7.2597 7.2599 10.4500 10.4500 12.2347 12.2363 13.2787 13.2804 k = 0.0000 0.0000 0.2210 ( 10654 PWs) bands (ev): -46.3836 -46.3836 -46.0680 -46.0680 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7085 -18.7084 -18.5083 -18.5080 -18.3904 -18.3894 -18.1731 -18.1684 -18.0606 -18.0578 -17.8172 -17.8158 -17.7501 -17.7495 -17.6438 -17.6428 -17.5780 -17.5775 -6.7582 -6.7578 -6.5610 -6.5605 2.7598 2.7600 3.3803 3.3803 3.4333 3.4334 3.6514 3.6515 4.0978 4.0978 4.6659 4.6659 6.2895 6.2895 7.1888 7.1890 10.5655 10.5656 12.1073 12.1087 13.2904 13.2920 k = 0.0000 0.0000 0.2327 ( 10652 PWs) bands (ev): -46.3836 -46.3836 -46.0680 -46.0680 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7085 -18.7084 -18.5080 -18.5078 -18.3904 -18.3895 -18.1726 -18.1686 -18.0604 -18.0581 -17.8172 -17.8159 -17.7501 -17.7496 -17.6436 -17.6427 -17.5783 -17.5779 -6.7456 -6.7452 -6.5740 -6.5736 2.8017 2.8019 3.3721 3.3722 3.3899 3.3901 3.6429 3.6429 4.0980 4.0980 4.6655 4.6655 6.3612 6.3612 7.1186 7.1188 10.6821 10.6823 11.9797 11.9809 13.3018 13.3031 k = 0.0000 0.0000 0.2443 ( 10655 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5078 -18.5076 -18.3903 -18.3896 -18.1722 -18.1689 -18.0603 -18.0583 -17.8171 -17.8161 -17.7501 -17.7497 -17.6435 -17.6427 -17.5786 -17.5783 -6.7333 -6.7329 -6.5867 -6.5862 2.8442 2.8443 3.3171 3.3171 3.3951 3.3952 3.6354 3.6354 4.0982 4.0982 4.6652 4.6652 6.4317 6.4317 7.0495 7.0496 10.7992 10.7994 11.8531 11.8541 13.3120 13.3131 k = 0.0000 0.0000 0.2559 ( 10648 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5076 -18.5075 -18.3902 -18.3897 -18.1717 -18.1692 -18.0601 -18.0586 -17.8171 -17.8163 -17.7501 -17.7498 -17.6433 -17.6427 -17.5788 -17.5785 -6.7218 -6.7214 -6.5985 -6.5981 2.8863 2.8864 3.2642 3.2643 3.4005 3.4006 3.6291 3.6291 4.0983 4.0983 4.6649 4.6649 6.4999 6.5000 6.9824 6.9825 10.9155 10.9158 11.7290 11.7299 13.3206 13.3214 k = 0.0000 0.0000 0.2676 ( 10647 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5075 -18.5074 -18.3901 -18.3898 -18.1713 -18.1696 -18.0599 -18.0589 -17.8170 -17.8164 -17.7501 -17.7498 -17.6431 -17.6428 -17.5789 -17.5787 -6.7117 -6.7114 -6.6087 -6.6084 2.9257 2.9259 3.2170 3.2171 3.4047 3.4048 3.6244 3.6244 4.0984 4.0984 4.6647 4.6647 6.5638 6.5638 6.9193 6.9194 11.0282 11.0285 11.6107 11.6114 13.3271 13.3276 k = 0.0000 0.0000 0.2792 ( 10654 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5074 -18.5073 -18.3901 -18.3899 -18.1708 -18.1700 -18.0596 -18.0591 -17.8169 -17.8166 -17.7500 -17.7499 -17.6430 -17.6428 -17.5790 -17.5789 -6.7045 -6.7043 -6.6159 -6.6157 2.9574 2.9575 3.1807 3.1808 3.4074 3.4074 3.6215 3.6215 4.0984 4.0984 4.6646 4.6646 6.6166 6.6166 6.8670 6.8671 11.1272 11.1275 11.5083 11.5088 13.3311 13.3314 k = 0.0000 0.0000 0.2908 ( 10668 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5073 -18.5073 -18.3900 -18.3900 -18.1704 -18.1704 -18.0594 -18.0594 -17.8167 -17.8167 -17.7500 -17.7500 -17.6429 -17.6429 -17.5790 -17.5790 -6.7017 -6.7017 -6.6186 -6.6186 2.9706 2.9706 3.1660 3.1660 3.4083 3.4083 3.6205 3.6205 4.0985 4.0985 4.6646 4.6646 6.6400 6.6400 6.8438 6.8438 11.1755 11.1755 11.4592 11.4592 13.3326 13.3326 k = 0.0000 0.0000 0.2908 ( 10668 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5073 -18.5073 -18.3900 -18.3900 -18.1704 -18.1704 -18.0594 -18.0594 -17.8167 -17.8167 -17.7500 -17.7500 -17.6429 -17.6429 -17.5790 -17.5790 -6.7017 -6.7017 -6.6186 -6.6186 2.9706 2.9706 3.1660 3.1660 3.4083 3.4083 3.6205 3.6205 4.0985 4.0985 4.6646 4.6646 6.6400 6.6400 6.8438 6.8438 11.1755 11.1755 11.4592 11.4592 13.3326 13.3326 k = 0.0000 0.0116 0.2908 ( 10660 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5074 -18.5073 -18.3901 -18.3899 -18.1706 -18.1703 -18.0595 -18.0593 -17.8168 -17.8167 -17.7500 -17.7500 -17.6429 -17.6429 -17.5790 -17.5789 -6.7018 -6.7018 -6.6187 -6.6187 2.9696 2.9698 3.1639 3.1641 3.4097 3.4099 3.6221 3.6222 4.0989 4.0989 4.6650 4.6650 6.6414 6.6414 6.8455 6.8455 11.1694 11.1697 11.4633 11.4635 13.3307 13.3309 k = 0.0000 0.0232 0.2908 ( 10660 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5075 -18.5073 -18.3903 -18.3898 -18.1707 -18.1702 -18.0596 -18.0592 -17.8168 -17.8167 -17.7501 -17.7499 -17.6430 -17.6429 -17.5790 -17.5789 -6.7022 -6.7022 -6.6191 -6.6191 2.9670 2.9674 3.1580 3.1584 3.4141 3.4145 3.6270 3.6272 4.1001 4.1001 4.6661 4.6661 6.6454 6.6455 6.8506 6.8507 11.1525 11.1530 11.4747 11.4751 13.3253 13.3257 k = 0.0000 0.0348 0.2908 ( 10668 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7083 -18.5077 -18.5074 -18.3905 -18.3898 -18.1710 -18.1701 -18.0597 -18.0591 -17.8169 -17.8167 -17.7501 -17.7500 -17.6430 -17.6429 -17.5790 -17.5789 -6.7028 -6.7028 -6.6197 -6.6197 2.9628 2.9634 3.1488 3.1493 3.4211 3.4216 3.6350 3.6354 4.1021 4.1021 4.6680 4.6680 6.6522 6.6522 6.8590 6.8592 11.1272 11.1278 11.4910 11.4916 13.3165 13.3171 k = 0.0000 0.0464 0.2908 ( 10670 PWs) bands (ev): -46.3835 -46.3835 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7083 -18.7083 -18.5078 -18.5074 -18.3907 -18.3898 -18.1712 -18.1701 -18.0599 -18.0590 -17.8170 -17.8167 -17.7502 -17.7500 -17.6431 -17.6429 -17.5790 -17.5789 -6.7036 -6.7036 -6.6206 -6.6206 2.9571 2.9578 3.1369 3.1375 3.4303 3.4309 3.6459 3.6464 4.1048 4.1048 4.6706 4.6706 6.6615 6.6616 6.8707 6.8709 11.0960 11.0967 11.5100 11.5106 13.3047 13.3055 k = 0.0000 0.0580 0.2908 ( 10666 PWs) bands (ev): -46.3835 -46.3835 -46.0681 -46.0681 -45.6996 -45.6996 -39.8141 -39.8141 -39.7312 -39.7312 -39.6175 -39.6175 -18.7083 -18.7082 -18.5080 -18.5075 -18.3910 -18.3898 -18.1714 -18.1700 -18.0600 -18.0589 -17.8171 -17.8167 -17.7503 -17.7500 -17.6432 -17.6429 -17.5790 -17.5789 -6.7046 -6.7046 -6.6217 -6.6217 2.9501 2.9510 3.1229 3.1236 3.4411 3.4417 3.6593 3.6599 4.1084 4.1084 4.6739 4.6739 6.6734 6.6735 6.8855 6.8858 11.0608 11.0615 11.5298 11.5304 13.2904 13.2912 k = 0.0000 0.0696 0.2908 ( 10672 PWs) bands (ev): -46.3835 -46.3835 -46.0681 -46.0681 -45.6995 -45.6995 -39.8141 -39.8141 -39.7312 -39.7312 -39.6175 -39.6175 -18.7082 -18.7082 -18.5082 -18.5077 -18.3913 -18.3899 -18.1717 -18.1701 -18.0601 -18.0589 -17.8172 -17.8167 -17.7504 -17.7501 -17.6433 -17.6429 -17.5790 -17.5789 -6.7059 -6.7058 -6.6230 -6.6230 2.9419 2.9429 3.1074 3.1083 3.4532 3.4539 3.6750 3.6756 4.1127 4.1127 4.6780 4.6780 6.6879 6.6880 6.9033 6.9037 11.0229 11.0237 11.5491 11.5498 13.2739 13.2748 k = 0.0000 0.0812 0.2908 ( 10673 PWs) bands (ev): -46.3835 -46.3835 -46.0681 -46.0681 -45.6995 -45.6995 -39.8140 -39.8140 -39.7312 -39.7312 -39.6175 -39.6175 -18.7082 -18.7081 -18.5085 -18.5078 -18.3916 -18.3900 -18.1720 -18.1701 -18.0602 -18.0588 -17.8173 -17.8168 -17.7505 -17.7501 -17.6434 -17.6429 -17.5790 -17.5789 -6.7073 -6.7073 -6.6246 -6.6246 2.9326 2.9337 3.0910 3.0919 3.4664 3.4670 3.6924 3.6931 4.1177 4.1177 4.6827 4.6827 6.7048 6.7049 6.9239 6.9243 10.9835 10.9843 11.5672 11.5678 13.2558 13.2568 k = 0.0000 0.0928 0.2908 ( 10673 PWs) bands (ev): -46.3835 -46.3835 -46.0681 -46.0681 -45.6995 -45.6995 -39.8139 -39.8139 -39.7313 -39.7313 -39.6175 -39.6175 -18.7081 -18.7080 -18.5088 -18.5080 -18.3920 -18.3902 -18.1723 -18.1702 -18.0604 -18.0588 -17.8174 -17.8169 -17.7506 -17.7502 -17.6435 -17.6430 -17.5790 -17.5789 -6.7090 -6.7090 -6.6264 -6.6263 2.9224 2.9237 3.0740 3.0750 3.4804 3.4810 3.7113 3.7121 4.1235 4.1235 4.6881 4.6881 6.7240 6.7241 6.9470 6.9475 10.9433 10.9440 11.5834 11.5841 13.2365 13.2375 k = 0.0000 0.1043 0.2908 ( 10676 PWs) bands (ev): -46.3834 -46.3834 -46.0681 -46.0681 -45.6995 -45.6995 -39.8139 -39.8139 -39.7313 -39.7313 -39.6176 -39.6176 -18.7080 -18.7079 -18.5091 -18.5083 -18.3924 -18.3904 -18.1727 -18.1703 -18.0605 -18.0587 -17.8176 -17.8169 -17.7507 -17.7503 -17.6436 -17.6430 -17.5790 -17.5789 -6.7109 -6.7108 -6.6284 -6.6283 2.9115 2.9128 3.0568 3.0578 3.4951 3.4957 3.7314 3.7321 4.1299 4.1299 4.6942 4.6942 6.7454 6.7455 6.9724 6.9730 10.9029 10.9037 11.5976 11.5982 13.2166 13.2176 k = 0.0000 0.1159 0.2908 ( 10672 PWs) bands (ev): -46.3834 -46.3834 -46.0681 -46.0681 -45.6995 -45.6995 -39.8138 -39.8138 -39.7313 -39.7313 -39.6176 -39.6176 -18.7079 -18.7078 -18.5094 -18.5085 -18.3928 -18.3906 -18.1730 -18.1704 -18.0606 -18.0587 -17.8177 -17.8170 -17.7509 -17.7504 -17.6437 -17.6431 -17.5790 -17.5789 -6.7129 -6.7129 -6.6305 -6.6305 2.9000 2.9014 3.0397 3.0407 3.5103 3.5109 3.7522 3.7530 4.1370 4.1370 4.7008 4.7008 6.7689 6.7690 6.9998 7.0004 10.8631 10.8638 11.6094 11.6100 13.1964 13.1973 k = 0.0000 0.1275 0.2908 ( 10676 PWs) bands (ev): -46.3834 -46.3834 -46.0681 -46.0681 -45.6995 -45.6995 -39.8137 -39.8137 -39.7313 -39.7313 -39.6176 -39.6176 -18.7078 -18.7077 -18.5098 -18.5088 -18.3932 -18.3908 -18.1734 -18.1706 -18.0607 -18.0587 -17.8179 -17.8171 -17.7510 -17.7505 -17.6438 -17.6432 -17.5790 -17.5789 -6.7151 -6.7151 -6.6329 -6.6329 2.8879 2.8894 3.0228 3.0239 3.5261 3.5266 3.7737 3.7744 4.1447 4.1447 4.7081 4.7081 6.7943 6.7944 7.0289 7.0295 10.8242 10.8250 11.6188 11.6194 13.1762 13.1771 k = 0.0000 0.1391 0.2908 ( 10667 PWs) bands (ev): -46.3834 -46.3834 -46.0681 -46.0681 -45.6995 -45.6995 -39.8136 -39.8136 -39.7313 -39.7313 -39.6176 -39.6176 -18.7077 -18.7076 -18.5102 -18.5092 -18.3936 -18.3911 -18.1737 -18.1708 -18.0609 -18.0587 -17.8180 -17.8173 -17.7512 -17.7506 -17.6439 -17.6432 -17.5790 -17.5789 -6.7175 -6.7174 -6.6354 -6.6354 2.8754 2.8770 3.0065 3.0076 3.5423 3.5428 3.7955 3.7962 4.1530 4.1530 4.7159 4.7159 6.8215 6.8216 7.0593 7.0599 10.7870 10.7877 11.6258 11.6264 13.1564 13.1572 k = 0.0000 0.1507 0.2908 ( 10670 PWs) bands (ev): -46.3833 -46.3833 -46.0681 -46.0681 -45.6995 -45.6995 -39.8135 -39.8135 -39.7314 -39.7314 -39.6176 -39.6176 -18.7076 -18.7075 -18.5106 -18.5095 -18.3941 -18.3914 -18.1741 -18.1710 -18.0610 -18.0587 -17.8182 -17.8174 -17.7514 -17.7507 -17.6440 -17.6433 -17.5790 -17.5789 -6.7200 -6.7200 -6.6381 -6.6381 2.8625 2.8642 2.9908 2.9919 3.5590 3.5594 3.8174 3.8181 4.1618 4.1618 4.7243 4.7243 6.8503 6.8504 7.0906 7.0913 10.7518 10.7524 11.6305 11.6312 13.1369 13.1376 k = 0.0000 0.1623 0.2908 ( 10667 PWs) bands (ev): -46.3833 -46.3833 -46.0681 -46.0681 -45.6995 -45.6995 -39.8134 -39.8134 -39.7314 -39.7314 -39.6177 -39.6177 -18.7075 -18.7073 -18.5110 -18.5099 -18.3945 -18.3918 -18.1745 -18.1713 -18.0611 -18.0587 -17.8184 -17.8175 -17.7515 -17.7509 -17.6442 -17.6434 -17.5790 -17.5789 -6.7226 -6.7226 -6.6409 -6.6409 2.8494 2.8511 2.9760 2.9771 3.5759 3.5763 3.8393 3.8400 4.1712 4.1712 4.7331 4.7331 6.8805 6.8806 7.1225 7.1232 10.7191 10.7198 11.6331 11.6338 13.1179 13.1184 k = 0.0000 0.1739 0.2908 ( 10665 PWs) bands (ev): -46.3833 -46.3833 -46.0681 -46.0681 -45.6994 -45.6994 -39.8133 -39.8133 -39.7314 -39.7314 -39.6177 -39.6177 -18.7074 -18.7072 -18.5115 -18.5103 -18.3950 -18.3921 -18.1749 -18.1715 -18.0612 -18.0587 -17.8186 -17.8177 -17.7517 -17.7510 -17.6443 -17.6435 -17.5790 -17.5789 -6.7254 -6.7253 -6.6438 -6.6438 2.8360 2.8377 2.9621 2.9632 3.5931 3.5935 3.8611 3.8617 4.1810 4.1810 4.7423 4.7423 6.9119 6.9119 7.1546 7.1553 10.6896 10.6902 11.6340 11.6347 13.0865 13.0865 k = 0.0000 0.1855 0.2908 ( 10663 PWs) bands (ev): -46.3832 -46.3832 -46.0680 -46.0680 -45.6994 -45.6994 -39.8132 -39.8132 -39.7314 -39.7314 -39.6177 -39.6177 -18.7073 -18.7071 -18.5119 -18.5107 -18.3955 -18.3925 -18.1753 -18.1718 -18.0613 -18.0587 -17.8188 -17.8178 -17.7519 -17.7512 -17.6444 -17.6436 -17.5790 -17.5788 -6.7283 -6.7282 -6.6469 -6.6468 2.8223 2.8240 2.9493 2.9504 3.6105 3.6109 3.8825 3.8832 4.1912 4.1912 4.7519 4.7519 6.9442 6.9443 7.1864 7.1871 10.6636 10.6641 11.6334 11.6341 13.0322 13.0322 k = 0.0000 0.1971 0.2908 ( 10663 PWs) bands (ev): -46.3832 -46.3832 -46.0680 -46.0680 -45.6994 -45.6994 -39.8131 -39.8131 -39.7315 -39.7315 -39.6178 -39.6178 -18.7071 -18.7069 -18.5124 -18.5111 -18.3959 -18.3929 -18.1756 -18.1721 -18.0614 -18.0588 -17.8190 -17.8180 -17.7520 -17.7513 -17.6446 -17.6437 -17.5790 -17.5788 -6.7312 -6.7311 -6.6500 -6.6500 2.8086 2.8103 2.9376 2.9387 3.6281 3.6285 3.9036 3.9042 4.2017 4.2017 4.7619 4.7619 6.9773 6.9774 7.2176 7.2184 10.6415 10.6420 11.6318 11.6325 12.9764 12.9764 k = 0.0000 0.2087 0.2908 ( 10658 PWs) bands (ev): -46.3831 -46.3831 -46.0680 -46.0680 -45.6994 -45.6994 -39.8130 -39.8130 -39.7315 -39.7315 -39.6178 -39.6178 -18.7070 -18.7068 -18.5128 -18.5116 -18.3964 -18.3933 -18.1760 -18.1725 -18.0615 -18.0588 -17.8191 -17.8182 -17.7522 -17.7515 -17.6447 -17.6438 -17.5790 -17.5788 -6.7342 -6.7341 -6.6532 -6.6531 2.7948 2.7964 2.9271 2.9281 3.6458 3.6461 3.9241 3.9248 4.2126 4.2126 4.7721 4.7721 7.0109 7.0109 7.2479 7.2486 10.6240 10.6244 11.6296 11.6303 12.9197 12.9197 k = 0.0000 0.2203 0.2908 ( 10668 PWs) bands (ev): -46.3831 -46.3831 -46.0680 -46.0680 -45.6994 -45.6994 -39.8129 -39.8129 -39.7315 -39.7315 -39.6178 -39.6178 -18.7069 -18.7067 -18.5133 -18.5121 -18.3969 -18.3938 -18.1764 -18.1728 -18.0615 -18.0589 -17.8193 -17.8184 -17.7524 -17.7516 -17.6448 -17.6440 -17.5790 -17.5788 -6.7372 -6.7372 -6.6564 -6.6564 2.7810 2.7826 2.9177 2.9186 3.6635 3.6638 3.9442 3.9448 4.2237 4.2237 4.7826 4.7826 7.0447 7.0447 7.2768 7.2775 10.6112 10.6116 11.6273 11.6279 12.8624 12.8624 k = 0.0000 0.2319 0.2908 ( 10672 PWs) bands (ev): -46.3831 -46.3831 -46.0680 -46.0680 -45.6994 -45.6994 -39.8127 -39.8127 -39.7315 -39.7315 -39.6178 -39.6178 -18.7067 -18.7065 -18.5138 -18.5125 -18.3973 -18.3942 -18.1768 -18.1732 -18.0616 -18.0590 -17.8195 -17.8186 -17.7525 -17.7518 -17.6450 -17.6441 -17.5790 -17.5788 -6.7403 -6.7402 -6.6597 -6.6596 2.7673 2.7688 2.9094 2.9103 3.6812 3.6815 3.9636 3.9642 4.2350 4.2350 4.7932 4.7932 7.0783 7.0784 7.3041 7.3048 10.6036 10.6040 11.6253 11.6260 12.8048 12.8048 k = 0.0000 0.2435 0.2908 ( 10666 PWs) bands (ev): -46.3830 -46.3830 -46.0680 -46.0680 -45.6993 -45.6993 -39.8126 -39.8126 -39.7316 -39.7316 -39.6179 -39.6179 -18.7066 -18.7064 -18.5143 -18.5130 -18.3978 -18.3947 -18.1771 -18.1735 -18.0617 -18.0590 -17.8197 -17.8188 -17.7527 -17.7520 -17.6451 -17.6442 -17.5790 -17.5788 -6.7434 -6.7433 -6.6629 -6.6629 2.7538 2.7552 2.9022 2.9030 3.6988 3.6991 3.9824 3.9829 4.2463 4.2463 4.8040 4.8040 7.1116 7.1117 7.3295 7.3301 10.6015 10.6018 11.6243 11.6249 12.7474 12.7474 k = 0.0000 0.2551 0.2908 ( 10670 PWs) bands (ev): -46.3830 -46.3830 -46.0680 -46.0680 -45.6993 -45.6993 -39.8125 -39.8125 -39.7316 -39.7316 -39.6179 -39.6179 -18.7064 -18.7063 -18.5147 -18.5135 -18.3982 -18.3951 -18.1775 -18.1739 -18.0617 -18.0591 -17.8199 -17.8190 -17.7529 -17.7522 -17.6452 -17.6443 -17.5790 -17.5788 -6.7465 -6.7464 -6.6662 -6.6661 2.7405 2.7419 2.8960 2.8968 3.7162 3.7165 4.0004 4.0010 4.2578 4.2578 4.8148 4.8148 7.1442 7.1444 7.3529 7.3535 10.6051 10.6054 11.6245 11.6252 12.6906 12.6906 k = 0.0000 0.2667 0.2908 ( 10669 PWs) bands (ev): -46.3830 -46.3830 -46.0680 -46.0680 -45.6993 -45.6993 -39.8124 -39.8124 -39.7316 -39.7316 -39.6179 -39.6179 -18.7063 -18.7061 -18.5152 -18.5140 -18.3986 -18.3956 -18.1778 -18.1743 -18.0618 -18.0592 -17.8201 -17.8192 -17.7530 -17.7523 -17.6453 -17.6445 -17.5789 -17.5788 -6.7495 -6.7494 -6.6694 -6.6694 2.7276 2.7288 2.8908 2.8915 3.7334 3.7337 4.0178 4.0183 4.2692 4.2692 4.8256 4.8256 7.1758 7.1760 7.3741 7.3747 10.6146 10.6147 11.6266 11.6272 12.6346 12.6346 k = 0.0000 0.2783 0.2908 ( 10676 PWs) bands (ev): -46.3829 -46.3829 -46.0680 -46.0680 -45.6993 -45.6993 -39.8123 -39.8123 -39.7317 -39.7317 -39.6180 -39.6180 -18.7062 -18.7060 -18.5157 -18.5145 -18.3990 -18.3961 -18.1781 -18.1747 -18.0618 -18.0593 -17.8203 -17.8194 -17.7532 -17.7525 -17.6454 -17.6446 -17.5789 -17.5788 -6.7525 -6.7524 -6.6726 -6.6726 2.7150 2.7162 2.8864 2.8871 3.7502 3.7505 4.0344 4.0349 4.2805 4.2805 4.8363 4.8363 7.2060 7.2063 7.3933 7.3937 10.6299 10.6300 11.6307 11.6313 12.5798 12.5798 k = 0.0000 0.2898 0.2908 ( 10669 PWs) bands (ev): -46.3829 -46.3829 -46.0680 -46.0680 -45.6993 -45.6993 -39.8121 -39.8121 -39.7317 -39.7317 -39.6180 -39.6180 -18.7060 -18.7058 -18.5161 -18.5150 -18.3994 -18.3965 -18.1784 -18.1751 -18.0618 -18.0594 -17.8205 -17.8196 -17.7533 -17.7527 -17.6455 -17.6447 -17.5789 -17.5788 -6.7555 -6.7554 -6.6757 -6.6757 2.7030 2.7041 2.8829 2.8835 3.7667 3.7670 4.0503 4.0508 4.2917 4.2917 4.8468 4.8468 7.2345 7.2348 7.4104 7.4108 10.6512 10.6512 11.6373 11.6379 12.5265 12.5265 k = 0.0000 0.3014 0.2908 ( 10663 PWs) bands (ev): -46.3828 -46.3828 -46.0680 -46.0680 -45.6993 -45.6993 -39.8120 -39.8120 -39.7317 -39.7317 -39.6180 -39.6180 -18.7059 -18.7057 -18.5166 -18.5155 -18.3998 -18.3970 -18.1787 -18.1755 -18.0618 -18.0595 -17.8206 -17.8198 -17.7535 -17.7528 -17.6456 -17.6448 -17.5789 -17.5788 -6.7583 -6.7583 -6.6787 -6.6787 2.6914 2.6925 2.8800 2.8806 3.7826 3.7829 4.0654 4.0658 4.3026 4.3027 4.8572 4.8572 7.2608 7.2612 7.4258 7.4261 10.6781 10.6782 11.6465 11.6471 12.4750 12.4750 k = 0.0000 0.3130 0.2908 ( 10656 PWs) bands (ev): -46.3828 -46.3828 -46.0680 -46.0680 -45.6992 -45.6992 -39.8119 -39.8119 -39.7317 -39.7317 -39.6180 -39.6180 -18.7058 -18.7056 -18.5170 -18.5159 -18.4001 -18.3974 -18.1790 -18.1759 -18.0618 -18.0596 -17.8208 -17.8200 -17.7536 -17.7530 -17.6457 -17.6450 -17.5789 -17.5788 -6.7611 -6.7610 -6.6817 -6.6816 2.6805 2.6814 2.8779 2.8784 3.7980 3.7982 4.0797 4.0801 4.3133 4.3133 4.8673 4.8673 7.2845 7.2850 7.4399 7.4400 10.7106 10.7107 11.6584 11.6590 12.4255 12.4255 k = 0.0000 0.3246 0.2908 ( 10660 PWs) bands (ev): -46.3828 -46.3828 -46.0680 -46.0680 -45.6992 -45.6992 -39.8118 -39.8118 -39.7318 -39.7318 -39.6181 -39.6181 -18.7057 -18.7055 -18.5174 -18.5164 -18.4004 -18.3978 -18.1792 -18.1763 -18.0619 -18.0597 -17.8210 -17.8202 -17.7537 -17.7531 -17.6458 -17.6451 -17.5789 -17.5788 -6.7638 -6.7637 -6.6845 -6.6844 2.6701 2.6710 2.8763 2.8767 3.8126 3.8129 4.0932 4.0936 4.3236 4.3236 4.8770 4.8770 7.3053 7.3059 7.4529 7.4529 10.7484 10.7486 11.6730 11.6736 12.3784 12.3784 k = 0.0000 0.3362 0.2908 ( 10657 PWs) bands (ev): -46.3827 -46.3827 -46.0680 -46.0680 -45.6992 -45.6992 -39.8117 -39.8117 -39.7318 -39.7318 -39.6181 -39.6181 -18.7055 -18.7054 -18.5178 -18.5168 -18.4007 -18.3983 -18.1794 -18.1766 -18.0618 -18.0598 -17.8211 -17.8204 -17.7539 -17.7533 -17.6459 -17.6452 -17.5789 -17.5788 -6.7663 -6.7662 -6.6871 -6.6871 2.6604 2.6612 2.8752 2.8756 3.8266 3.8268 4.1058 4.1062 4.3335 4.3335 4.8864 4.8864 7.3227 7.3234 7.4652 7.4653 10.7911 10.7913 11.6902 11.6907 12.3339 12.3339 k = 0.0000 0.3478 0.2908 ( 10660 PWs) bands (ev): -46.3827 -46.3827 -46.0680 -46.0680 -45.6992 -45.6992 -39.8116 -39.8116 -39.7318 -39.7318 -39.6181 -39.6181 -18.7054 -18.7053 -18.5182 -18.5173 -18.4010 -18.3987 -18.1796 -18.1770 -18.0618 -18.0599 -17.8213 -17.8205 -17.7540 -17.7534 -17.6460 -17.6453 -17.5789 -17.5788 -6.7687 -6.7686 -6.6897 -6.6896 2.6514 2.6521 2.8745 2.8749 3.8397 3.8399 4.1177 4.1180 4.3428 4.3428 4.8952 4.8952 7.3367 7.3374 7.4773 7.4775 10.8382 10.8385 11.7094 11.7098 12.2921 12.2921 k = 0.0000 0.3594 0.2908 ( 10658 PWs) bands (ev): -46.3827 -46.3827 -46.0680 -46.0680 -45.6992 -45.6992 -39.8115 -39.8115 -39.7318 -39.7318 -39.6181 -39.6181 -18.7053 -18.7052 -18.5185 -18.5177 -18.4012 -18.3991 -18.1798 -18.1774 -18.0618 -18.0600 -17.8214 -17.8207 -17.7541 -17.7536 -17.6460 -17.6454 -17.5789 -17.5788 -6.7709 -6.7709 -6.6920 -6.6920 2.6431 2.6438 2.8742 2.8745 3.8519 3.8521 4.1286 4.1289 4.3517 4.3517 4.9036 4.9036 7.3472 7.3480 7.4893 7.4895 10.8893 10.8897 11.7300 11.7304 12.2532 12.2532 k = 0.0000 0.3710 0.2908 ( 10653 PWs) bands (ev): -46.3827 -46.3827 -46.0680 -46.0680 -45.6992 -45.6992 -39.8115 -39.8115 -39.7319 -39.7319 -39.6182 -39.6182 -18.7052 -18.7051 -18.5188 -18.5180 -18.4014 -18.3994 -18.1800 -18.1777 -18.0618 -18.0601 -17.8215 -17.8209 -17.7541 -17.7537 -17.6461 -17.6455 -17.5789 -17.5788 -6.7730 -6.7730 -6.6942 -6.6942 2.6355 2.6361 2.8742 2.8745 3.8632 3.8633 4.1387 4.1390 4.3598 4.3599 4.9113 4.9113 7.3546 7.3554 7.5011 7.5014 10.9438 10.9442 11.7509 11.7512 12.2176 12.2176 k = 0.0000 0.3826 0.2908 ( 10653 PWs) bands (ev): -46.3826 -46.3826 -46.0680 -46.0680 -45.6992 -45.6992 -39.8114 -39.8114 -39.7319 -39.7319 -39.6182 -39.6182 -18.7051 -18.7050 -18.5191 -18.5184 -18.4016 -18.3998 -18.1801 -18.1780 -18.0617 -18.0602 -17.8216 -17.8211 -17.7542 -17.7538 -17.6461 -17.6456 -17.5789 -17.5788 -6.7749 -6.7748 -6.6962 -6.6961 2.6286 2.6292 2.8743 2.8746 3.8734 3.8736 4.1479 4.1481 4.3674 4.3674 4.9185 4.9185 7.3595 7.3602 7.5125 7.5129 11.0010 11.0015 11.7706 11.7708 12.1852 12.1852 k = 0.0000 0.3942 0.2908 ( 10661 PWs) bands (ev): -46.3826 -46.3826 -46.0680 -46.0680 -45.6992 -45.6992 -39.8113 -39.8113 -39.7319 -39.7319 -39.6182 -39.6182 -18.7050 -18.7049 -18.5193 -18.5187 -18.4017 -18.4001 -18.1802 -18.1783 -18.0617 -18.0603 -17.8217 -17.8212 -17.7543 -17.7539 -17.6462 -17.6457 -17.5789 -17.5788 -6.7766 -6.7765 -6.6980 -6.6979 2.6226 2.6231 2.8746 2.8749 3.8825 3.8827 4.1561 4.1563 4.3741 4.3741 4.9249 4.9249 7.3622 7.3629 7.5233 7.5236 11.0601 11.0606 11.7872 11.7873 12.1563 12.1563 k = 0.0000 0.4058 0.2908 ( 10655 PWs) bands (ev): -46.3826 -46.3826 -46.0680 -46.0680 -45.6992 -45.6992 -39.8113 -39.8113 -39.7319 -39.7319 -39.6182 -39.6182 -18.7050 -18.7049 -18.5195 -18.5190 -18.4018 -18.4004 -18.1803 -18.1786 -18.0616 -18.0604 -17.8217 -17.8213 -17.7543 -17.7540 -17.6462 -17.6458 -17.5788 -17.5788 -6.7781 -6.7781 -6.6995 -6.6995 2.6173 2.6177 2.8751 2.8753 3.8906 3.8907 4.1633 4.1635 4.3801 4.3802 4.9306 4.9306 7.3635 7.3641 7.5331 7.5334 11.1202 11.1208 11.7982 11.7982 12.1309 12.1309 k = 0.0000 0.4174 0.2908 ( 10661 PWs) bands (ev): -46.3826 -46.3826 -46.0680 -46.0680 -45.6991 -45.6991 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7049 -18.7048 -18.5197 -18.5192 -18.4019 -18.4007 -18.1803 -18.1789 -18.0616 -18.0605 -17.8218 -17.8215 -17.7544 -17.7541 -17.6462 -17.6459 -17.5788 -17.5788 -6.7794 -6.7793 -6.7009 -6.7008 2.6128 2.6131 2.8755 2.8757 3.8974 3.8976 4.1696 4.1697 4.3853 4.3853 4.9355 4.9355 7.3638 7.3643 7.5417 7.5420 11.1801 11.1807 11.8013 11.8015 12.1093 12.1093 k = 0.0000 0.4290 0.2908 ( 10665 PWs) bands (ev): -46.3826 -46.3826 -46.0680 -46.0680 -45.6991 -45.6991 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7049 -18.7048 -18.5198 -18.5195 -18.4019 -18.4010 -18.1803 -18.1791 -18.0615 -18.0607 -17.8218 -17.8216 -17.7544 -17.7542 -17.6462 -17.6460 -17.5788 -17.5788 -6.7805 -6.7804 -6.7020 -6.7020 2.6091 2.6093 2.8760 2.8761 3.9031 3.9032 4.1748 4.1749 4.3896 4.3896 4.9396 4.9396 7.3635 7.3640 7.5489 7.5491 11.2382 11.2388 11.7955 11.7958 12.0914 12.0914 k = 0.0000 0.4406 0.2908 ( 10670 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7048 -18.7048 -18.5199 -18.5196 -18.4019 -18.4012 -18.1803 -18.1793 -18.0614 -18.0608 -17.8218 -17.8217 -17.7544 -17.7543 -17.6462 -17.6461 -17.5788 -17.5788 -6.7813 -6.7813 -6.7029 -6.7028 2.6061 2.6064 2.8763 2.8765 3.9076 3.9077 4.1789 4.1790 4.3931 4.3931 4.9428 4.9428 7.3631 7.3635 7.5545 7.5547 11.2920 11.2925 11.7819 11.7822 12.0774 12.0774 k = 0.0000 0.4522 0.2908 ( 10673 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7048 -18.7047 -18.5200 -18.5198 -18.4019 -18.4014 -18.1802 -18.1795 -18.0614 -18.0609 -17.8219 -17.8218 -17.7544 -17.7543 -17.6462 -17.6461 -17.5788 -17.5788 -6.7819 -6.7819 -6.7035 -6.7035 2.6040 2.6042 2.8767 2.8768 3.9109 3.9110 4.1819 4.1819 4.3955 4.3956 4.9452 4.9452 7.3627 7.3630 7.5585 7.5587 11.3377 11.3381 11.7644 11.7648 12.0674 12.0674 k = 0.0000 0.4638 0.2908 ( 10672 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7047 -18.7047 -18.5200 -18.5199 -18.4018 -18.4016 -18.1802 -18.1797 -18.0613 -18.0610 -17.8218 -17.8218 -17.7544 -17.7544 -17.6462 -17.6462 -17.5788 -17.5788 -6.7823 -6.7823 -6.7039 -6.7039 2.6027 2.6028 2.8769 2.8770 3.9130 3.9130 4.1837 4.1838 4.3971 4.3971 4.9467 4.9467 7.3627 7.3628 7.5608 7.5609 11.3696 11.3698 11.7500 11.7502 12.0612 12.0612 k = 0.0000 0.4753 0.2908 ( 10676 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7047 -18.7047 -18.5200 -18.5200 -18.4018 -18.4017 -18.1801 -18.1798 -18.0612 -18.0610 -17.8219 -17.8218 -17.7544 -17.7544 -17.6462 -17.6462 -17.5788 -17.5788 -6.7825 -6.7824 -6.7041 -6.7040 2.6022 2.6023 2.8770 2.8770 3.9138 3.9138 4.1845 4.1845 4.3977 4.3977 4.9472 4.9472 7.3630 7.3631 7.5614 7.5614 11.3810 11.3810 11.7462 11.7463 12.0591 12.0591 k = 0.0000 0.4753 0.2908 ( 10676 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7047 -18.7047 -18.5200 -18.5200 -18.4018 -18.4017 -18.1801 -18.1798 -18.0612 -18.0610 -17.8219 -17.8218 -17.7544 -17.7544 -17.6462 -17.6462 -17.5788 -17.5788 -6.7825 -6.7824 -6.7041 -6.7040 2.6022 2.6023 2.8770 2.8770 3.9138 3.9138 4.1845 4.1845 4.3977 4.3977 4.9472 4.9472 7.3630 7.3631 7.5614 7.5614 11.3810 11.3810 11.7462 11.7463 12.0591 12.0591 k = 0.0000 0.4769 0.2882 ( 10672 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7047 -18.7047 -18.5200 -18.5200 -18.4017 -18.4017 -18.1800 -18.1800 -18.0611 -18.0611 -17.8218 -17.8218 -17.7544 -17.7544 -17.6462 -17.6462 -17.5788 -17.5788 -6.7824 -6.7824 -6.7042 -6.7042 2.6026 2.6026 2.8766 2.8766 3.9141 3.9141 4.1842 4.1842 4.3977 4.3977 4.9473 4.9473 7.3645 7.3645 7.5601 7.5601 11.3813 11.3813 11.7466 11.7466 12.0597 12.0597 k = 0.0000 0.4769 0.2882 ( 10672 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7047 -18.7047 -18.5200 -18.5200 -18.4017 -18.4017 -18.1800 -18.1800 -18.0611 -18.0611 -17.8218 -17.8218 -17.7544 -17.7544 -17.6462 -17.6462 -17.5788 -17.5788 -6.7824 -6.7824 -6.7042 -6.7042 2.6026 2.6026 2.8766 2.8766 3.9141 3.9141 4.1842 4.1842 4.3977 4.3977 4.9473 4.9473 7.3645 7.3645 7.5601 7.5601 11.3813 11.3813 11.7466 11.7466 12.0597 12.0597 k = 0.0116 0.4769 0.2882 ( 10680 PWs) bands (ev): -46.3825 -46.3825 -46.0681 -46.0681 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7059 -18.7039 -18.5217 -18.5182 -18.4030 -18.4007 -18.1819 -18.1778 -18.0619 -18.0601 -17.8229 -17.8209 -17.7552 -17.7537 -17.6467 -17.6457 -17.5790 -17.5785 -6.7821 -6.7820 -6.7040 -6.7040 2.6035 2.6035 2.8775 2.8775 3.9143 3.9143 4.1811 4.1821 4.3983 4.3993 4.9464 4.9466 7.3636 7.3637 7.5596 7.5596 11.3673 11.3674 11.7049 11.7059 12.0987 12.0996 k = 0.0233 0.4769 0.2882 ( 10672 PWs) bands (ev): -46.3822 -46.3822 -46.0683 -46.0683 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7073 -18.7034 -18.5234 -18.5163 -18.4047 -18.4001 -18.1834 -18.1753 -18.0625 -18.0590 -17.8241 -17.8200 -17.7560 -17.7532 -17.6474 -17.6454 -17.5791 -17.5782 -6.7811 -6.7809 -6.7034 -6.7033 2.6062 2.6064 2.8799 2.8800 3.9149 3.9150 4.1731 4.1751 4.4007 4.4026 4.9441 4.9444 7.3612 7.3613 7.5581 7.5582 11.3268 11.3269 11.6163 11.6176 12.1784 12.1795 k = 0.0349 0.4769 0.2882 ( 10668 PWs) bands (ev): -46.3819 -46.3819 -46.0686 -46.0686 -45.6991 -45.6991 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7090 -18.7031 -18.5249 -18.5144 -18.4066 -18.3998 -18.1846 -18.1726 -18.0628 -18.0576 -17.8254 -17.8193 -17.7570 -17.7528 -17.6481 -17.6451 -17.5791 -17.5777 -6.7795 -6.7792 -6.7024 -6.7023 2.6109 2.6111 2.8841 2.8841 3.9160 3.9161 4.1608 4.1637 4.4046 4.4073 4.9403 4.9407 7.3570 7.3572 7.5557 7.5558 11.2633 11.2634 11.5149 11.5162 12.2470 12.2480 k = 0.0465 0.4769 0.2882 ( 10666 PWs) bands (ev): -46.3814 -46.3814 -46.0691 -46.0691 -45.6991 -45.6991 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7110 -18.7033 -18.5264 -18.5124 -18.4088 -18.4000 -18.1854 -18.1697 -18.0630 -18.0560 -17.8268 -17.8187 -17.7581 -17.7525 -17.6489 -17.6450 -17.5791 -17.5771 -6.7773 -6.7769 -6.7010 -6.7008 2.6174 2.6177 2.8898 2.8899 3.9173 3.9176 4.1449 4.1485 4.4093 4.4125 4.9351 4.9357 7.3511 7.3513 7.5521 7.5522 11.1815 11.1817 11.4122 11.4135 12.2791 12.2797 k = 0.0581 0.4769 0.2882 ( 10658 PWs) bands (ev): -46.3808 -46.3808 -46.0698 -46.0698 -45.6991 -45.6991 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7132 -18.7037 -18.5279 -18.5104 -18.4113 -18.4005 -18.1859 -18.1668 -18.0630 -18.0542 -17.8283 -17.8181 -17.7592 -17.7523 -17.6498 -17.6450 -17.5789 -17.5765 -6.7745 -6.7739 -6.6991 -6.6989 2.6257 2.6261 2.8973 2.8973 3.9190 3.9193 4.1262 4.1302 4.4141 4.4177 4.9289 4.9296 7.3433 7.3435 7.5474 7.5475 11.0867 11.0872 11.3118 11.3128 12.2974 12.2977 k = 0.0698 0.4769 0.2882 ( 10656 PWs) bands (ev): -46.3800 -46.3800 -46.0705 -46.0705 -45.6990 -45.6990 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7156 -18.7044 -18.5292 -18.5083 -18.4140 -18.4015 -18.1860 -18.1638 -18.0626 -18.0521 -17.8300 -17.8177 -17.7605 -17.7522 -17.6507 -17.6451 -17.5787 -17.5758 -6.7710 -6.7703 -6.6969 -6.6967 2.6359 2.6364 2.9063 2.9064 3.9207 3.9212 4.1051 4.1096 4.4184 4.4223 4.9217 4.9225 7.3334 7.3336 7.5414 7.5415 10.9840 10.9847 11.2143 11.2152 12.3156 12.3158 k = 0.0814 0.4769 0.2882 ( 10656 PWs) bands (ev): -46.3791 -46.3791 -46.0714 -46.0714 -45.6990 -45.6990 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7181 -18.7054 -18.5306 -18.5062 -18.4169 -18.4028 -18.1857 -18.1608 -18.0621 -18.0498 -17.8317 -17.8173 -17.7618 -17.7523 -17.6517 -17.6454 -17.5783 -17.5750 -6.7670 -6.7662 -6.6942 -6.6939 2.6479 2.6485 2.9170 2.9170 3.9223 3.9229 4.0823 4.0872 4.4218 4.4259 4.9137 4.9147 7.3212 7.3215 7.5339 7.5340 10.8775 10.8784 11.1198 11.1205 12.3367 12.3368 k = 0.0930 0.4769 0.2882 ( 10658 PWs) bands (ev): -46.3780 -46.3780 -46.0725 -46.0725 -45.6989 -45.6989 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7208 -18.7066 -18.5319 -18.5040 -18.4202 -18.4045 -18.1851 -18.1579 -18.0612 -18.0471 -17.8335 -17.8171 -17.7632 -17.7524 -17.6528 -17.6457 -17.5779 -17.5742 -6.7625 -6.7616 -6.6911 -6.6908 2.6618 2.6624 2.9292 2.9293 3.9235 3.9243 4.0584 4.0637 4.4240 4.4281 4.9053 4.9063 7.3066 7.3069 7.5247 7.5249 10.7703 10.7712 11.0283 11.0289 12.3608 12.3609 k = 0.1047 0.4769 0.2882 ( 10654 PWs) bands (ev): -46.3768 -46.3768 -46.0736 -46.0736 -45.6989 -45.6989 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7236 -18.7080 -18.5332 -18.5019 -18.4236 -18.4066 -18.1842 -18.1552 -18.0600 -18.0442 -17.8354 -17.8169 -17.7646 -17.7526 -17.6539 -17.6462 -17.5774 -17.5733 -6.7575 -6.7564 -6.6875 -6.6872 2.6775 2.6782 2.9431 2.9432 3.9237 3.9248 4.0340 4.0397 4.4247 4.4289 4.8967 4.8978 7.2892 7.2895 7.5137 7.5139 10.6644 10.6655 10.9402 10.9406 12.3879 12.3881 k = 0.1163 0.4769 0.2882 ( 10650 PWs) bands (ev): -46.3755 -46.3755 -46.0749 -46.0749 -45.6989 -45.6989 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7264 -18.7097 -18.5345 -18.4996 -18.4274 -18.4090 -18.1831 -18.1526 -18.0584 -18.0409 -17.8374 -17.8168 -17.7661 -17.7530 -17.6551 -17.6468 -17.5769 -17.5724 -6.7521 -6.7509 -6.6835 -6.6832 2.6950 2.6957 2.9585 2.9586 3.9220 3.9233 4.0103 4.0163 4.4238 4.4280 4.8882 4.8893 7.2690 7.2693 7.5005 7.5007 10.5615 10.5626 10.8557 10.8561 12.4175 12.4178 k = 0.1279 0.4769 0.2882 ( 10648 PWs) bands (ev): -46.3741 -46.3741 -46.0763 -46.0763 -45.6988 -45.6988 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7292 -18.7115 -18.5359 -18.4974 -18.4314 -18.4115 -18.1818 -18.1503 -18.0565 -18.0373 -17.8394 -17.8167 -17.7677 -17.7534 -17.6563 -17.6475 -17.5763 -17.5714 -6.7463 -6.7450 -6.6791 -6.6787 2.7142 2.7150 2.9754 2.9755 3.9165 3.9179 3.9893 3.9954 4.4213 4.4254 4.8800 4.8811 7.2455 7.2458 7.4850 7.4852 10.4627 10.4639 10.7756 10.7758 12.4492 12.4497 k = 0.1395 0.4769 0.2882 ( 10654 PWs) bands (ev): -46.3725 -46.3725 -46.0779 -46.0779 -45.6987 -45.6987 -39.8113 -39.8113 -39.7319 -39.7319 -39.6181 -39.6181 -18.7321 -18.7133 -18.5374 -18.4952 -18.4358 -18.4143 -18.1804 -18.1483 -18.0542 -18.0333 -17.8415 -17.8167 -17.7693 -17.7538 -17.6576 -17.6484 -17.5756 -17.5704 -6.7403 -6.7388 -6.6741 -6.6738 2.7352 2.7361 2.9939 2.9940 3.9051 3.9059 3.9737 3.9792 4.4173 4.4213 4.8723 4.8734 7.2187 7.2190 7.4668 7.4670 10.3690 10.3702 10.7002 10.7004 12.4826 12.4831 k = 0.1512 0.4769 0.2882 ( 10660 PWs) bands (ev): -46.3709 -46.3709 -46.0795 -46.0795 -45.6987 -45.6987 -39.8113 -39.8113 -39.7319 -39.7319 -39.6181 -39.6181 -18.7349 -18.7153 -18.5390 -18.4929 -18.4405 -18.4171 -18.1789 -18.1467 -18.0515 -18.0290 -17.8436 -17.8168 -17.7709 -17.7544 -17.6589 -17.6493 -17.5749 -17.5694 -6.7340 -6.7324 -6.6687 -6.6683 2.7580 2.7589 3.0138 3.0140 3.8864 3.8866 3.9642 3.9686 4.4121 4.4158 4.8653 4.8664 7.1882 7.1885 7.4457 7.4459 10.2811 10.2823 10.6301 10.6303 12.5169 12.5175 k = 0.1628 0.4769 0.2882 ( 10658 PWs) bands (ev): -46.3691 -46.3691 -46.0813 -46.0813 -45.6986 -45.6986 -39.8113 -39.8113 -39.7318 -39.7318 -39.6181 -39.6181 -18.7377 -18.7173 -18.5409 -18.4906 -18.4456 -18.4199 -18.1773 -18.1454 -18.0485 -18.0244 -17.8457 -17.8169 -17.7726 -17.7550 -17.6603 -17.6504 -17.5741 -17.5684 -6.7275 -6.7259 -6.6629 -6.6624 2.7824 2.7834 3.0352 3.0354 3.8618 3.8630 3.9583 3.9617 4.4058 4.4093 4.8590 4.8600 7.1541 7.1543 7.4214 7.4216 10.1996 10.2009 10.5657 10.5659 12.5516 12.5522 k = 0.1744 0.4769 0.2882 ( 10650 PWs) bands (ev): -46.3672 -46.3672 -46.0831 -46.0831 -45.6985 -45.6985 -39.8114 -39.8114 -39.7318 -39.7318 -39.6181 -39.6181 -18.7403 -18.7193 -18.5430 -18.4884 -18.4510 -18.4227 -18.1758 -18.1444 -18.0450 -18.0194 -17.8478 -17.8170 -17.7743 -17.7556 -17.6617 -17.6515 -17.5733 -17.5674 -6.7210 -6.7192 -6.6565 -6.6560 2.8085 2.8096 3.0580 3.0582 3.8345 3.8364 3.9535 3.9561 4.3989 4.4022 4.8536 4.8546 7.1160 7.1163 7.3937 7.3940 10.1252 10.1264 10.5074 10.5076 12.5855 12.5862 k = 0.1860 0.4769 0.2882 ( 10656 PWs) bands (ev): -46.3652 -46.3652 -46.0851 -46.0851 -45.6985 -45.6985 -39.8114 -39.8114 -39.7318 -39.7318 -39.6181 -39.6181 -18.7429 -18.7212 -18.5453 -18.4861 -18.4567 -18.4253 -18.1744 -18.1437 -18.0412 -18.0142 -17.8499 -17.8172 -17.7761 -17.7563 -17.6632 -17.6528 -17.5725 -17.5663 -6.7144 -6.7125 -6.6496 -6.6491 2.8362 2.8374 3.0822 3.0823 3.8060 3.8083 3.9481 3.9503 4.3918 4.3948 4.8490 4.8499 7.0741 7.0743 7.3624 7.3627 10.0581 10.0594 10.4555 10.4557 12.6174 12.6182 k = 0.1977 0.4769 0.2882 ( 10658 PWs) bands (ev): -46.3631 -46.3631 -46.0871 -46.0871 -45.6984 -45.6984 -39.8114 -39.8114 -39.7318 -39.7318 -39.6181 -39.6181 -18.7452 -18.7231 -18.5480 -18.4840 -18.4627 -18.4278 -18.1731 -18.1433 -18.0371 -18.0086 -17.8520 -17.8173 -17.7778 -17.7571 -17.6647 -17.6541 -17.5716 -17.5653 -6.7078 -6.7059 -6.6422 -6.6417 2.8655 2.8668 3.1077 3.1078 3.7770 3.7795 3.9413 3.9430 4.3852 4.3878 4.8452 4.8460 7.0282 7.0284 7.3275 7.3277 9.9988 10.0000 10.4102 10.4105 12.6452 12.6460 k = 0.2093 0.4769 0.2882 ( 10672 PWs) bands (ev): -46.3610 -46.3610 -46.0893 -46.0893 -45.6983 -45.6983 -39.8115 -39.8115 -39.7318 -39.7318 -39.6180 -39.6180 -18.7474 -18.7248 -18.5510 -18.4823 -18.4686 -18.4300 -18.1719 -18.1432 -18.0326 -18.0029 -17.8541 -17.8175 -17.7796 -17.7579 -17.6662 -17.6555 -17.5707 -17.5643 -6.7014 -6.6994 -6.6344 -6.6339 2.8964 2.8977 3.1344 3.1346 3.7479 3.7506 3.9325 3.9339 4.3793 4.3817 4.8421 4.8427 6.9784 6.9786 7.2887 7.2890 9.9474 9.9486 10.3717 10.3720 12.6657 12.6664 k = 0.2209 0.4769 0.2882 ( 10672 PWs) bands (ev): -46.3587 -46.3587 -46.0915 -46.0915 -45.6982 -45.6982 -39.8115 -39.8115 -39.7318 -39.7318 -39.6180 -39.6180 -18.7494 -18.7264 -18.5544 -18.4823 -18.4732 -18.4319 -18.1708 -18.1434 -18.0279 -17.9970 -17.8560 -17.8177 -17.7814 -17.7588 -17.6677 -17.6569 -17.5698 -17.5634 -6.6950 -6.6929 -6.6262 -6.6257 2.9287 2.9301 3.1623 3.1625 3.7190 3.7218 3.9213 3.9225 4.3747 4.3767 4.8396 4.8402 6.9250 6.9251 7.2463 7.2466 9.9041 9.9052 10.3400 10.3403 12.6745 12.6750 k = 0.2326 0.4769 0.2882 ( 10678 PWs) bands (ev): -46.3564 -46.3564 -46.0938 -46.0938 -45.6982 -45.6982 -39.8116 -39.8116 -39.7318 -39.7318 -39.6180 -39.6180 -18.7512 -18.7278 -18.5581 -18.4865 -18.4739 -18.4336 -18.1699 -18.1438 -18.0230 -17.9910 -17.8579 -17.8179 -17.7833 -17.7597 -17.6692 -17.6584 -17.5689 -17.5625 -6.6887 -6.6867 -6.6176 -6.6171 2.9624 2.9639 3.1914 3.1915 3.6906 3.6934 3.9076 3.9085 4.3716 4.3733 4.8376 4.8381 6.8680 6.8681 7.2004 7.2006 9.8687 9.8698 10.3151 10.3155 12.6670 12.6673 k = 0.2442 0.4769 0.2882 ( 10676 PWs) bands (ev): -46.3541 -46.3541 -46.0961 -46.0961 -45.6981 -45.6981 -39.8116 -39.8116 -39.7317 -39.7317 -39.6180 -39.6180 -18.7527 -18.7289 -18.5623 -18.4932 -18.4723 -18.4349 -18.1691 -18.1444 -18.0178 -17.9848 -17.8597 -17.8181 -17.7851 -17.7606 -17.6708 -17.6599 -17.5681 -17.5616 -6.6826 -6.6806 -6.6087 -6.6082 2.9974 2.9991 3.2215 3.2216 3.6628 3.6656 3.8913 3.8921 4.3702 4.3717 4.8361 4.8365 6.8077 6.8078 7.1510 7.1513 9.8413 9.8423 10.2970 10.2974 12.6419 12.6420 k = 0.2558 0.4769 0.2882 ( 10684 PWs) bands (ev): -46.3517 -46.3517 -46.0985 -46.0985 -45.6980 -45.6980 -39.8116 -39.8116 -39.7317 -39.7317 -39.6180 -39.6180 -18.7540 -18.7299 -18.5669 -18.5007 -18.4702 -18.4360 -18.1685 -18.1452 -18.0126 -17.9787 -17.8614 -17.8182 -17.7870 -17.7616 -17.6723 -17.6615 -17.5672 -17.5607 -6.6767 -6.6746 -6.5996 -6.5991 3.0337 3.0354 3.2525 3.2527 3.6358 3.6387 3.8725 3.8733 4.3707 4.3718 4.8349 4.8352 6.7445 6.7446 7.0987 7.0989 9.8216 9.8226 10.2855 10.2859 12.6015 12.6017 k = 0.2674 0.4769 0.2882 ( 10680 PWs) bands (ev): -46.3492 -46.3492 -46.1009 -46.1009 -45.6979 -45.6979 -39.8117 -39.8117 -39.7317 -39.7317 -39.6180 -39.6180 -18.7549 -18.7306 -18.5719 -18.5086 -18.4680 -18.4369 -18.1680 -18.1461 -18.0072 -17.9726 -17.8630 -17.8183 -17.7889 -17.7627 -17.6738 -17.6631 -17.5663 -17.5599 -6.6709 -6.6689 -6.5903 -6.5898 3.0712 3.0730 3.2843 3.2846 3.6098 3.6127 3.8516 3.8524 4.3728 4.3737 4.8340 4.8342 6.6787 6.6788 7.0437 7.0439 9.8093 9.8102 10.2804 10.2808 12.5497 12.5500 k = 0.2791 0.4769 0.2882 ( 10678 PWs) bands (ev): -46.3467 -46.3467 -46.1034 -46.1034 -45.6978 -45.6978 -39.8117 -39.8117 -39.7317 -39.7317 -39.6179 -39.6179 -18.7556 -18.7310 -18.5772 -18.5167 -18.4657 -18.4374 -18.1677 -18.1472 -18.0018 -17.9665 -17.8644 -17.8184 -17.7908 -17.7638 -17.6752 -17.6647 -17.5654 -17.5592 -6.6653 -6.6633 -6.5809 -6.5804 3.1096 3.1115 3.3168 3.3171 3.5850 3.5878 3.8287 3.8295 4.3765 4.3772 4.8333 4.8334 6.6107 6.6109 6.9865 6.9867 9.8040 9.8049 10.2814 10.2818 12.4895 12.4899 k = 0.2907 0.4769 0.2882 ( 10678 PWs) bands (ev): -46.3442 -46.3442 -46.1059 -46.1059 -45.6978 -45.6978 -39.8117 -39.8117 -39.7317 -39.7317 -39.6179 -39.6179 -18.7560 -18.7311 -18.5829 -18.5250 -18.4633 -18.4378 -18.1674 -18.1483 -17.9963 -17.9605 -17.8656 -17.8184 -17.7927 -17.7650 -17.6766 -17.6663 -17.5646 -17.5584 -6.6599 -6.6580 -6.5715 -6.5710 3.1489 3.1509 3.3497 3.3503 3.5616 3.5644 3.8042 3.8052 4.3816 4.3821 4.8327 4.8328 6.5410 6.5412 6.9275 6.9277 9.8055 9.8063 10.2883 10.2888 12.4234 12.4238 k = 0.3023 0.4769 0.2882 ( 10676 PWs) bands (ev): -46.3417 -46.3417 -46.1083 -46.1083 -45.6977 -45.6977 -39.8118 -39.8118 -39.7317 -39.7317 -39.6179 -39.6179 -18.7560 -18.7308 -18.5888 -18.5335 -18.4610 -18.4379 -18.1673 -18.1495 -17.9909 -17.9548 -17.8666 -17.8183 -17.7947 -17.7663 -17.6780 -17.6679 -17.5638 -17.5578 -6.6547 -6.6528 -6.5621 -6.5617 3.1888 3.1910 3.3828 3.3837 3.5398 3.5426 3.7786 3.7797 4.3878 4.3882 4.8322 4.8323 6.4700 6.4702 6.8673 6.8675 9.8132 9.8139 10.3008 10.3013 12.3528 12.3532 k = 0.3140 0.4769 0.2882 ( 10672 PWs) bands (ev): -46.3392 -46.3392 -46.1108 -46.1108 -45.6976 -45.6976 -39.8118 -39.8118 -39.7316 -39.7316 -39.6179 -39.6179 -18.7557 -18.7303 -18.5951 -18.5421 -18.4588 -18.4378 -18.1673 -18.1508 -17.9856 -17.9493 -17.8674 -17.8181 -17.7966 -17.7676 -17.6793 -17.6695 -17.5630 -17.5572 -6.6496 -6.6479 -6.5529 -6.5525 3.2292 3.2315 3.4153 3.4169 3.5203 3.5232 3.7522 3.7534 4.3950 4.3952 4.8317 4.8318 6.3981 6.3984 6.8064 6.8066 9.8267 9.8274 10.3186 10.3191 12.2789 12.2795 k = 0.3256 0.4769 0.2882 ( 10674 PWs) bands (ev): -46.3367 -46.3367 -46.1133 -46.1133 -45.6975 -45.6975 -39.8119 -39.8119 -39.7316 -39.7316 -39.6179 -39.6179 -18.7550 -18.7294 -18.6016 -18.5508 -18.4565 -18.4377 -18.1674 -18.1521 -17.9803 -17.9441 -17.8679 -17.8179 -17.7986 -17.7690 -17.6806 -17.6711 -17.5622 -17.5566 -6.6448 -6.6432 -6.5439 -6.5435 3.2696 3.2721 3.4449 3.4481 3.5048 3.5087 3.7253 3.7267 4.4028 4.4029 4.8312 4.8314 6.3260 6.3262 6.7453 6.7455 9.8456 9.8462 10.3412 10.3418 12.2029 12.2034 k = 0.3372 0.4769 0.2882 ( 10672 PWs) bands (ev): -46.3343 -46.3343 -46.1157 -46.1157 -45.6975 -45.6975 -39.8119 -39.8119 -39.7316 -39.7316 -39.6178 -39.6178 -18.7540 -18.7281 -18.6083 -18.5595 -18.4544 -18.4374 -18.1675 -18.1535 -17.9751 -17.9393 -17.8681 -17.8175 -17.8007 -17.7705 -17.6818 -17.6726 -17.5615 -17.5561 -6.6403 -6.6387 -6.5351 -6.5348 3.3094 3.3122 3.4615 3.4668 3.5041 3.5094 3.6983 3.6998 4.4111 4.4112 4.8308 4.8309 6.2540 6.2543 6.6846 6.6847 9.8694 9.8700 10.3683 10.3689 12.1256 12.1261 k = 0.3488 0.4769 0.2882 ( 10680 PWs) bands (ev): -46.3319 -46.3319 -46.1180 -46.1180 -45.6974 -45.6974 -39.8119 -39.8119 -39.7316 -39.7316 -39.6178 -39.6178 -18.7527 -18.7265 -18.6151 -18.5682 -18.4522 -18.4370 -18.1677 -18.1549 -17.9701 -17.9349 -17.8679 -17.8171 -17.8027 -17.7721 -17.6829 -17.6742 -17.5607 -17.5557 -6.6359 -6.6344 -6.5267 -6.5264 3.3476 3.3508 3.4587 3.4624 3.5292 3.5327 3.6715 3.6732 4.4196 4.4198 4.8303 4.8304 6.1828 6.1831 6.6247 6.6249 9.8976 9.8982 10.3995 10.4001 12.0477 12.0482 k = 0.3605 0.4769 0.2882 ( 10682 PWs) bands (ev): -46.3296 -46.3296 -46.1203 -46.1203 -45.6973 -45.6973 -39.8120 -39.8120 -39.7316 -39.7316 -39.6178 -39.6178 -18.7510 -18.7245 -18.6221 -18.5769 -18.4502 -18.4365 -18.1679 -18.1562 -17.9652 -17.9311 -17.8672 -17.8165 -17.8048 -17.7737 -17.6839 -17.6756 -17.5601 -17.5553 -6.6318 -6.6304 -6.5186 -6.5183 3.3806 3.3843 3.4545 3.4570 3.5609 3.5633 3.6452 3.6472 4.4283 4.4284 4.8298 4.8300 6.1129 6.1132 6.5663 6.5665 9.9298 9.9303 10.4343 10.4350 11.9701 11.9706 k = 0.3721 0.4769 0.2882 ( 10676 PWs) bands (ev): -46.3274 -46.3274 -46.1225 -46.1225 -45.6973 -45.6973 -39.8120 -39.8120 -39.7316 -39.7316 -39.6178 -39.6178 -18.7489 -18.7222 -18.6291 -18.5856 -18.4482 -18.4360 -18.1681 -18.1575 -17.9606 -17.9278 -17.8662 -17.8158 -17.8069 -17.7754 -17.6848 -17.6770 -17.5594 -17.5550 -6.6280 -6.6267 -6.5110 -6.5107 3.3993 3.4033 3.4636 3.4655 3.5927 3.5942 3.6205 3.6232 4.4368 4.4370 4.8292 4.8294 6.0448 6.0452 6.5099 6.5101 9.9655 9.9660 10.4722 10.4728 11.8936 11.8942 k = 0.3837 0.4769 0.2882 ( 10674 PWs) bands (ev): -46.3253 -46.3253 -46.1246 -46.1246 -45.6972 -45.6972 -39.8120 -39.8120 -39.7316 -39.7316 -39.6178 -39.6178 -18.7465 -18.7194 -18.6362 -18.5942 -18.4464 -18.4356 -18.1683 -18.1588 -17.9561 -17.9251 -17.8647 -17.8151 -17.8090 -17.7773 -17.6856 -17.6784 -17.5588 -17.5547 -6.6245 -6.6233 -6.5038 -6.5036 3.4009 3.4044 3.4889 3.4916 3.5940 3.5963 3.6270 3.6293 4.4452 4.4454 4.8287 4.8289 5.9792 5.9795 6.4560 6.4561 10.0042 10.0046 10.5125 10.5131 11.8191 11.8197 k = 0.3953 0.4769 0.2882 ( 10680 PWs) bands (ev): -46.3233 -46.3233 -46.1266 -46.1266 -45.6971 -45.6971 -39.8120 -39.8120 -39.7315 -39.7315 -39.6178 -39.6178 -18.7437 -18.7163 -18.6433 -18.6027 -18.4446 -18.4351 -18.1686 -18.1601 -17.9519 -17.9231 -17.8628 -17.8146 -17.8108 -17.7791 -17.6863 -17.6797 -17.5582 -17.5545 -6.6212 -6.6201 -6.4972 -6.4970 3.3962 3.3993 3.5172 3.5217 3.5739 3.5780 3.6575 3.6593 4.4532 4.4534 4.8281 4.8283 5.9166 5.9170 6.4051 6.4052 10.0453 10.0457 10.5544 10.5551 11.7478 11.7484 k = 0.4070 0.4769 0.2882 ( 10674 PWs) bands (ev): -46.3214 -46.3214 -46.1284 -46.1284 -45.6971 -45.6971 -39.8121 -39.8121 -39.7315 -39.7315 -39.6178 -39.6178 -18.7405 -18.7128 -18.6503 -18.6111 -18.4430 -18.4347 -18.1688 -18.1613 -17.9479 -17.9216 -17.8605 -17.8151 -17.8114 -17.7811 -17.6869 -17.6809 -17.5577 -17.5543 -6.6182 -6.6172 -6.4912 -6.4910 3.3907 3.3936 3.5292 3.5338 3.5727 3.5768 3.6871 3.6887 4.4607 4.4610 4.8275 4.8277 5.8578 5.8581 6.3578 6.3579 10.0881 10.0885 10.5971 10.5977 11.6809 11.6815 k = 0.4186 0.4769 0.2882 ( 10674 PWs) bands (ev): -46.3198 -46.3198 -46.1301 -46.1301 -45.6971 -45.6971 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7370 -18.7090 -18.6573 -18.6193 -18.4414 -18.4343 -18.1689 -18.1624 -17.9442 -17.9207 -17.8579 -17.8170 -17.8107 -17.7831 -17.6874 -17.6820 -17.5572 -17.5542 -6.6156 -6.6147 -6.4858 -6.4856 3.3861 3.3888 3.5169 3.5188 3.5983 3.5996 3.7150 3.7165 4.4676 4.4679 4.8270 4.8271 5.8034 5.8037 6.3145 6.3146 10.1319 10.1322 10.6392 10.6398 11.6200 11.6206 k = 0.4302 0.4769 0.2882 ( 10670 PWs) bands (ev): -46.3183 -46.3183 -46.1316 -46.1316 -45.6970 -45.6970 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7332 -18.7048 -18.6642 -18.6274 -18.4400 -18.4340 -18.1690 -18.1635 -17.9407 -17.9202 -17.8550 -17.8194 -17.8094 -17.7852 -17.6878 -17.6831 -17.5567 -17.5541 -6.6132 -6.6125 -6.4810 -6.4809 3.3829 3.3854 3.4990 3.5002 3.6263 3.6266 3.7407 3.7420 4.4738 4.4741 4.8264 4.8266 5.7541 5.7544 6.2758 6.2759 10.1757 10.1760 10.6791 10.6797 11.5674 11.5680 k = 0.4419 0.4769 0.2882 ( 10676 PWs) bands (ev): -46.3170 -46.3170 -46.1329 -46.1329 -45.6970 -45.6970 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7290 -18.7003 -18.6709 -18.6352 -18.4387 -18.4338 -18.1690 -18.1645 -17.9375 -17.9202 -17.8520 -17.8219 -17.8078 -17.7874 -17.6880 -17.6840 -17.5563 -17.5541 -6.6112 -6.6106 -6.4769 -6.4768 3.3813 3.3835 3.4814 3.4824 3.6516 3.6518 3.7638 3.7649 4.4793 4.4794 4.8259 4.8261 5.7107 5.7109 6.2421 6.2422 10.2183 10.2186 10.7150 10.7156 11.5254 11.5260 k = 0.4535 0.4769 0.2882 ( 10676 PWs) bands (ev): -46.3159 -46.3159 -46.1340 -46.1340 -45.6970 -45.6970 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7245 -18.6957 -18.6773 -18.6429 -18.4376 -18.4337 -18.1690 -18.1654 -17.9346 -17.9206 -17.8488 -17.8245 -17.8062 -17.7895 -17.6881 -17.6849 -17.5559 -17.5542 -6.6096 -6.6091 -6.4736 -6.4735 3.3813 3.3833 3.4651 3.4661 3.6733 3.6736 3.7836 3.7846 4.4838 4.4840 4.8255 4.8256 5.6739 5.6741 6.2139 6.2139 10.2581 10.2583 10.7449 10.7455 11.4969 11.4975 k = 0.4651 0.4769 0.2882 ( 10678 PWs) bands (ev): -46.3150 -46.3150 -46.1348 -46.1348 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7197 -18.6918 -18.6824 -18.6503 -18.4366 -18.4337 -18.1689 -18.1662 -17.9319 -17.9214 -17.8456 -17.8273 -17.8043 -17.7917 -17.6881 -17.6857 -17.5555 -17.5542 -6.6083 -6.6079 -6.4709 -6.4708 3.3828 3.3846 3.4508 3.4518 3.6907 3.6910 3.7999 3.8006 4.4874 4.4875 4.8252 4.8253 5.6445 5.6446 6.1915 6.1915 10.2932 10.2934 10.7673 10.7677 11.4846 11.4852 k = 0.4767 0.4769 0.2882 ( 10674 PWs) bands (ev): -46.3144 -46.3144 -46.1354 -46.1354 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7147 -18.6930 -18.6819 -18.6575 -18.4358 -18.4338 -18.1687 -18.1669 -17.9295 -17.9224 -17.8424 -17.8302 -17.8024 -17.7939 -17.6880 -17.6864 -17.5552 -17.5543 -6.6073 -6.6070 -6.4690 -6.4689 3.3854 3.3868 3.4390 3.4400 3.7035 3.7037 3.8119 3.8124 4.4900 4.4901 4.8249 4.8250 5.6229 5.6230 6.1753 6.1753 10.3211 10.3212 10.7816 10.7819 11.4898 11.4904 k = 0.4884 0.4769 0.2882 ( 10680 PWs) bands (ev): -46.3140 -46.3140 -46.1358 -46.1358 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7093 -18.6982 -18.6768 -18.6643 -18.4351 -18.4341 -18.1684 -18.1675 -17.9273 -17.9238 -17.8393 -17.8331 -17.8004 -17.7961 -17.6878 -17.6870 -17.5549 -17.5545 -6.6067 -6.6066 -6.4678 -6.4678 3.3883 3.3892 3.4309 3.4315 3.7113 3.7114 3.8194 3.8196 4.4916 4.4917 4.8248 4.8248 5.6098 5.6099 6.1654 6.1654 10.3393 10.3393 10.7891 10.7893 11.5120 11.5127 k = 0.5000 0.4769 0.2882 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7038 -18.7038 -18.6708 -18.6708 -18.4345 -18.4345 -18.1680 -18.1680 -17.9254 -17.9254 -17.8362 -17.8362 -17.7983 -17.7983 -17.6874 -17.6874 -17.5547 -17.5547 -6.6065 -6.6065 -6.4674 -6.4674 3.3900 3.3900 3.4281 3.4281 3.7140 3.7140 3.8220 3.8220 4.4922 4.4922 4.8247 4.8247 5.6054 5.6054 6.1621 6.1621 10.3456 10.3456 10.7914 10.7914 11.5416 11.5416 k = 0.5000 0.4769 0.2882 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7038 -18.7038 -18.6708 -18.6708 -18.4345 -18.4345 -18.1680 -18.1680 -17.9254 -17.9254 -17.8362 -17.8362 -17.7983 -17.7983 -17.6874 -17.6874 -17.5547 -17.5547 -6.6065 -6.6065 -6.4674 -6.4674 3.3900 3.3900 3.4281 3.4281 3.7140 3.7140 3.8220 3.8220 4.4922 4.4922 4.8247 4.8247 5.6054 5.6054 6.1621 6.1621 10.3456 10.3456 10.7914 10.7914 11.5416 11.5416 k = 0.5000 0.4785 0.2857 ( 10674 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7038 -18.7038 -18.6708 -18.6708 -18.4346 -18.4344 -18.1680 -18.1680 -17.9256 -17.9253 -17.8362 -17.8361 -17.7984 -17.7982 -17.6874 -17.6874 -17.5547 -17.5547 -6.6064 -6.6064 -6.4674 -6.4674 3.3900 3.3900 3.4280 3.4280 3.7139 3.7140 3.8219 3.8219 4.4921 4.4921 4.8247 4.8247 5.6056 5.6056 6.1623 6.1623 10.3447 10.3447 10.7901 10.7901 11.5429 11.5429 k = 0.5000 0.4785 0.2857 ( 10674 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7038 -18.7038 -18.6708 -18.6708 -18.4346 -18.4344 -18.1680 -18.1680 -17.9256 -17.9253 -17.8362 -17.8361 -17.7984 -17.7982 -17.6874 -17.6874 -17.5547 -17.5547 -6.6064 -6.6064 -6.4674 -6.4674 3.3900 3.3900 3.4280 3.4280 3.7139 3.7140 3.8219 3.8219 4.4921 4.4921 4.8247 4.8247 5.6056 5.6056 6.1623 6.1623 10.3447 10.3447 10.7901 10.7901 11.5429 11.5429 k = 0.5000 0.4784 0.2741 ( 10672 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7040 -18.7037 -18.6708 -18.6708 -18.4348 -18.4342 -18.1680 -18.1679 -17.9261 -17.9247 -17.8363 -17.8361 -17.7987 -17.7978 -17.6874 -17.6874 -17.5547 -17.5547 -6.6065 -6.6065 -6.4674 -6.4674 3.3915 3.3915 3.4283 3.4284 3.7131 3.7132 3.8213 3.8214 4.4913 4.4913 4.8226 4.8226 5.6088 5.6088 6.1651 6.1652 10.3204 10.3207 10.7555 10.7556 11.5787 11.5788 k = 0.5000 0.4783 0.2626 ( 10674 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7041 -18.7036 -18.6709 -18.6709 -18.4351 -18.4339 -18.1680 -18.1679 -17.9265 -17.9240 -17.8364 -17.8361 -17.7989 -17.7973 -17.6874 -17.6873 -17.5548 -17.5548 -6.6066 -6.6066 -6.4674 -6.4674 3.3951 3.3952 3.4291 3.4293 3.7112 3.7115 3.8200 3.8201 4.4894 4.4895 4.8178 4.8179 5.6165 5.6165 6.1719 6.1719 10.2665 10.2670 10.6833 10.6835 11.6464 11.6468 k = 0.5000 0.4783 0.2511 ( 10672 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7043 -18.7036 -18.6710 -18.6709 -18.4353 -18.4337 -18.1680 -18.1679 -17.9269 -17.9233 -17.8365 -17.8361 -17.7991 -17.7968 -17.6874 -17.6872 -17.5550 -17.5550 -6.6068 -6.6068 -6.4673 -6.4673 3.4008 3.4009 3.4303 3.4306 3.7084 3.7087 3.8180 3.8181 4.4864 4.4865 4.8103 4.8103 5.6285 5.6286 6.1825 6.1826 10.1900 10.1906 10.5882 10.5884 11.7283 11.7288 k = 0.5000 0.4782 0.2395 ( 10674 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7045 -18.7036 -18.6711 -18.6710 -18.4356 -18.4335 -18.1680 -18.1679 -17.9272 -17.9225 -17.8367 -17.8361 -17.7992 -17.7962 -17.6874 -17.6872 -17.5552 -17.5552 -6.6071 -6.6071 -6.4672 -6.4672 3.4086 3.4087 3.4319 3.4324 3.7046 3.7050 3.8153 3.8154 4.4824 4.4826 4.8001 4.8001 5.6448 5.6448 6.1969 6.1970 10.0976 10.0983 10.4807 10.4809 11.8279 11.8285 k = 0.5000 0.4782 0.2280 ( 10678 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7047 -18.7036 -18.6712 -18.6712 -18.4358 -18.4333 -18.1681 -18.1679 -17.9274 -17.9218 -17.8368 -17.8361 -17.7993 -17.7956 -17.6873 -17.6871 -17.5554 -17.5554 -6.6074 -6.6074 -6.4670 -6.4670 3.4183 3.4184 3.4340 3.4346 3.6999 3.7004 3.8120 3.8122 4.4774 4.4776 4.7873 4.7873 5.6652 5.6652 6.2149 6.2150 9.9950 9.9957 10.3668 10.3670 11.9397 11.9403 k = 0.5000 0.4781 0.2165 ( 10672 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7050 -18.7037 -18.6714 -18.6713 -18.4360 -18.4331 -18.1681 -18.1679 -17.9275 -17.9210 -17.8370 -17.8362 -17.7992 -17.7950 -17.6872 -17.6869 -17.5557 -17.5557 -6.6077 -6.6077 -6.4669 -6.4669 3.4300 3.4301 3.4364 3.4373 3.6946 3.6952 3.8081 3.8084 4.4715 4.4718 4.7720 4.7720 5.6894 5.6894 6.2364 6.2366 9.8860 9.8868 10.2498 10.2500 12.0595 12.0601 k = 0.5000 0.4780 0.2050 ( 10678 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7052 -18.7038 -18.6715 -18.6715 -18.4361 -18.4329 -18.1681 -18.1679 -17.9275 -17.9203 -17.8372 -17.8363 -17.7991 -17.7944 -17.6871 -17.6868 -17.5560 -17.5560 -6.6082 -6.6082 -6.4667 -6.4667 3.4391 3.4394 3.4438 3.4444 3.6887 3.6893 3.8038 3.8041 4.4648 4.4651 4.7543 4.7543 5.7173 5.7173 6.2613 6.2615 9.7733 9.7742 10.1318 10.1321 12.1844 12.1851 k = 0.5000 0.4780 0.1934 ( 10670 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7055 -18.7039 -18.6717 -18.6716 -18.4363 -18.4328 -18.1681 -18.1679 -17.9274 -17.9195 -17.8374 -17.8364 -17.7989 -17.7938 -17.6870 -17.6867 -17.5563 -17.5563 -6.6086 -6.6086 -6.4665 -6.4665 3.4421 3.4429 3.4592 3.4596 3.6823 3.6831 3.7991 3.7995 4.4574 4.4577 4.7343 4.7344 5.7485 5.7486 6.2894 6.2895 9.6590 9.6598 10.0141 10.0144 12.3124 12.3131 k = 0.5000 0.4779 0.1819 ( 10680 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7058 -18.7040 -18.6719 -18.6718 -18.4364 -18.4327 -18.1681 -18.1680 -17.9272 -17.9188 -17.8376 -17.8365 -17.7986 -17.7932 -17.6869 -17.6865 -17.5567 -17.5567 -6.6091 -6.6091 -6.4663 -6.4663 3.4454 3.4463 3.4763 3.4767 3.6757 3.6765 3.7941 3.7946 4.4494 4.4497 4.7123 4.7123 5.7829 5.7830 6.3203 6.3205 9.5443 9.5452 9.8977 9.8979 12.4418 12.4425 k = 0.5000 0.4778 0.1704 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7060 -18.7042 -18.6721 -18.6720 -18.4365 -18.4326 -18.1681 -18.1680 -17.9270 -17.9182 -17.8378 -17.8367 -17.7982 -17.7926 -17.6868 -17.6864 -17.5571 -17.5571 -6.6097 -6.6097 -6.4661 -6.4661 3.4488 3.4498 3.4951 3.4955 3.6689 3.6699 3.7890 3.7895 4.4408 4.4412 4.6884 4.6884 5.8200 5.8201 6.3538 6.3540 9.4305 9.4314 9.7831 9.7833 12.5713 12.5719 k = 0.5000 0.4778 0.1588 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7063 -18.7044 -18.6724 -18.6722 -18.4366 -18.4326 -18.1682 -18.1680 -17.9266 -17.9176 -17.8380 -17.8368 -17.7978 -17.7920 -17.6866 -17.6862 -17.5575 -17.5575 -6.6102 -6.6102 -6.4659 -6.4659 3.4523 3.4534 3.5153 3.5158 3.6622 3.6632 3.7838 3.7844 4.4319 4.4323 4.6627 4.6628 5.8595 5.8596 6.3897 6.3899 9.3183 9.3192 9.6710 9.6713 12.6998 12.7004 k = 0.5000 0.4777 0.1473 ( 10680 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7066 -18.7047 -18.6726 -18.6724 -18.4366 -18.4325 -18.1682 -18.1680 -17.9262 -17.9170 -17.8381 -17.8370 -17.7974 -17.7914 -17.6865 -17.6861 -17.5580 -17.5579 -6.6108 -6.6108 -6.4657 -6.4656 3.4558 3.4570 3.5367 3.5373 3.6556 3.6567 3.7787 3.7793 4.4228 4.4231 4.6356 4.6356 5.9010 5.9011 6.4276 6.4278 9.2086 9.2094 9.5620 9.5622 12.8262 12.8267 k = 0.5000 0.4777 0.1358 ( 10680 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7068 -18.7049 -18.6728 -18.6726 -18.4366 -18.4326 -18.1682 -18.1680 -17.9257 -17.9166 -17.8383 -17.8371 -17.7968 -17.7909 -17.6863 -17.6859 -17.5584 -17.5584 -6.6113 -6.6113 -6.4654 -6.4654 3.4592 3.4605 3.5593 3.5599 3.6493 3.6505 3.7738 3.7745 4.4135 4.4139 4.6072 4.6072 5.9440 5.9442 6.4670 6.4672 9.1019 9.1028 9.4565 9.4567 12.9496 12.9501 k = 0.5000 0.4776 0.1242 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7071 -18.7052 -18.6730 -18.6728 -18.4366 -18.4326 -18.1682 -18.1680 -17.9252 -17.9162 -17.8385 -17.8373 -17.7963 -17.7904 -17.6862 -17.6858 -17.5588 -17.5588 -6.6119 -6.6119 -6.4652 -6.4652 3.4625 3.4638 3.5826 3.5833 3.6435 3.6447 3.7693 3.7701 4.4043 4.4046 4.5778 4.5778 5.9881 5.9883 6.5075 6.5078 8.9991 8.9999 9.3550 9.3552 13.0689 13.0694 k = 0.5000 0.4775 0.1127 ( 10680 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7073 -18.7054 -18.6732 -18.6730 -18.4365 -18.4327 -18.1682 -18.1680 -17.9246 -17.9159 -17.8386 -17.8375 -17.7957 -17.7900 -17.6860 -17.6856 -17.5593 -17.5592 -6.6124 -6.6124 -6.4650 -6.4650 3.4656 3.4669 3.6062 3.6070 3.6382 3.6395 3.7654 3.7663 4.3952 4.3955 4.5477 4.5478 6.0326 6.0328 6.5487 6.5489 8.9007 8.9014 9.2582 9.2584 13.1834 13.1838 k = 0.5000 0.4775 0.1012 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7075 -18.7057 -18.6734 -18.6732 -18.4364 -18.4328 -18.1682 -18.1681 -17.9240 -17.9157 -17.8387 -17.8376 -17.7950 -17.7897 -17.6859 -17.6855 -17.5597 -17.5597 -6.6130 -6.6130 -6.4648 -6.4647 3.4684 3.4697 3.6286 3.6294 3.6348 3.6359 3.7623 3.7634 4.3864 4.3867 4.5174 4.5174 6.0770 6.0772 6.5899 6.5901 8.8074 8.8082 9.1667 9.1669 13.2918 13.2922 k = 0.5000 0.4774 0.0897 ( 10684 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7076 -18.7060 -18.6735 -18.6733 -18.4363 -18.4329 -18.1682 -18.1681 -17.9233 -17.9156 -17.8388 -17.8378 -17.7944 -17.7894 -17.6857 -17.6854 -17.5601 -17.5600 -6.6135 -6.6135 -6.4646 -6.4645 3.4708 3.4721 3.6290 3.6300 3.6529 3.6540 3.7608 3.7620 4.3780 4.3783 4.4871 4.4871 6.1206 6.1208 6.6304 6.6306 8.7202 8.7208 9.0811 9.0813 13.3933 13.3937 k = 0.5000 0.4773 0.0781 ( 10686 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7078 -18.7063 -18.6737 -18.6735 -18.4361 -18.4331 -18.1682 -18.1681 -17.9226 -17.9156 -17.8389 -17.8379 -17.7937 -17.7892 -17.6856 -17.6853 -17.5604 -17.5604 -6.6139 -6.6139 -6.4644 -6.4644 3.4729 3.4741 3.6257 3.6267 3.6732 3.6745 3.7616 3.7630 4.3703 4.3705 4.4574 4.4574 6.1624 6.1626 6.6695 6.6697 8.6397 8.6403 9.0023 9.0024 13.4869 13.4872 k = 0.5000 0.4773 0.0666 ( 10684 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7079 -18.7066 -18.6738 -18.6736 -18.4360 -18.4333 -18.1682 -18.1681 -17.9219 -17.9157 -17.8389 -17.8381 -17.7931 -17.7890 -17.6854 -17.6852 -17.5607 -17.5607 -6.6143 -6.6143 -6.4642 -6.4642 3.4747 3.4758 3.6230 3.6239 3.6897 3.6911 3.7660 3.7675 4.3632 4.3635 4.4289 4.4289 6.2017 6.2019 6.7064 6.7065 8.5669 8.5674 8.9310 8.9312 13.5713 13.5716 k = 0.5000 0.4772 0.0551 ( 10688 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7080 -18.7068 -18.6739 -18.6738 -18.4358 -18.4335 -18.1682 -18.1681 -17.9212 -17.9158 -17.8389 -17.8382 -17.7925 -17.7890 -17.6853 -17.6851 -17.5610 -17.5610 -6.6147 -6.6147 -6.4640 -6.4640 3.4761 3.4770 3.6208 3.6217 3.7011 3.7024 3.7750 3.7763 4.3570 4.3572 4.4023 4.4023 6.2374 6.2376 6.7400 6.7401 8.5028 8.5033 8.8683 8.8684 13.6456 13.6458 k = 0.5000 0.4772 0.0435 ( 10690 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7080 -18.7071 -18.6740 -18.6739 -18.4356 -18.4337 -18.1682 -18.1682 -17.9205 -17.9161 -17.8389 -17.8384 -17.7919 -17.7890 -17.6852 -17.6850 -17.5613 -17.5613 -6.6150 -6.6150 -6.4639 -6.4639 3.4771 3.4779 3.6193 3.6200 3.7075 3.7085 3.7873 3.7884 4.3518 4.3520 4.3784 4.3784 6.2685 6.2687 6.7694 6.7695 8.4484 8.4488 8.8151 8.8152 13.7085 13.7087 k = 0.5000 0.4771 0.0320 ( 10686 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7080 -18.7073 -18.6741 -18.6740 -18.4354 -18.4339 -18.1682 -18.1682 -17.9198 -17.9165 -17.8389 -17.8385 -17.7913 -17.7891 -17.6851 -17.6850 -17.5615 -17.5615 -6.6152 -6.6152 -6.4638 -6.4638 3.4779 3.4786 3.6182 3.6187 3.7107 3.7114 3.8004 3.8012 4.3476 4.3477 4.3581 4.3582 6.2941 6.2943 6.7936 6.7937 8.4048 8.4051 8.7723 8.7724 13.7590 13.7592 k = 0.5000 0.4770 0.0205 ( 10680 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7080 -18.7075 -18.6741 -18.6740 -18.4351 -18.4342 -18.1682 -18.1682 -17.9191 -17.9169 -17.8389 -17.8386 -17.7908 -17.7893 -17.6850 -17.6849 -17.5616 -17.5616 -6.6154 -6.6154 -6.4638 -6.4637 3.4785 3.4789 3.6175 3.6179 3.7121 3.7126 3.8117 3.8122 4.3426 4.3426 4.3447 4.3447 6.3132 6.3133 6.8117 6.8117 8.3729 8.3731 8.7411 8.7411 13.7961 13.7962 k = 0.5000 0.4770 0.0089 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7079 -18.7077 -18.6741 -18.6741 -18.4349 -18.4344 -18.1682 -18.1682 -17.9185 -17.9174 -17.8388 -17.8387 -17.7903 -17.7896 -17.6850 -17.6849 -17.5617 -17.5617 -6.6155 -6.6155 -6.4637 -6.4637 3.4789 3.4791 3.6171 3.6173 3.7128 3.7130 3.8192 3.8195 4.3328 4.3328 4.3428 4.3428 6.3250 6.3251 6.8228 6.8229 8.3534 8.3535 8.7220 8.7220 13.8187 13.8187 k = 0.5000 0.4769-0.0026 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7078 -18.7078 -18.6741 -18.6741 -18.4346 -18.4346 -18.1682 -18.1682 -17.9179 -17.9179 -17.8388 -17.8388 -17.7899 -17.7899 -17.6849 -17.6849 -17.5617 -17.5617 -6.6155 -6.6155 -6.4637 -6.4637 3.4791 3.4791 3.6171 3.6171 3.7130 3.7130 3.8220 3.8220 4.3295 4.3295 4.3422 4.3422 6.3290 6.3290 6.8266 6.8266 8.3469 8.3469 8.7155 8.7155 13.8263 13.8263 k = 0.5000 0.4769-0.0026 ( 10676 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7078 -18.7078 -18.6741 -18.6741 -18.4346 -18.4346 -18.1682 -18.1682 -17.9179 -17.9179 -17.8388 -17.8388 -17.7899 -17.7899 -17.6849 -17.6849 -17.5617 -17.5617 -6.6155 -6.6155 -6.4637 -6.4637 3.4791 3.4791 3.6171 3.6171 3.7130 3.7130 3.8220 3.8220 4.3295 4.3295 4.3422 4.3422 6.3290 6.3290 6.8266 6.8266 8.3469 8.3469 8.7155 8.7155 13.8263 13.8263 k = 0.4884 0.4769-0.0026 ( 10678 PWs) bands (ev): -46.3140 -46.3140 -46.1358 -46.1358 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7135 -18.7018 -18.6805 -18.6674 -18.4352 -18.4343 -18.1685 -18.1677 -17.9201 -17.9160 -17.8418 -17.8357 -17.7926 -17.7871 -17.6855 -17.6842 -17.5620 -17.5615 -6.6161 -6.6160 -6.4638 -6.4636 3.4753 3.4767 3.6035 3.6060 3.7247 3.7267 3.8241 3.8250 4.3125 4.3134 4.3583 4.3590 6.3305 6.3306 6.8300 6.8300 8.3174 8.3179 8.7473 8.7478 13.7939 13.7944 k = 0.4767 0.4769-0.0026 ( 10674 PWs) bands (ev): -46.3144 -46.3144 -46.1354 -46.1354 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7190 -18.6956 -18.6866 -18.6604 -18.4359 -18.4341 -18.1688 -18.1672 -17.9226 -17.9146 -17.8449 -17.8328 -17.7952 -17.7843 -17.6860 -17.6834 -17.5623 -17.5613 -6.6179 -6.6177 -6.4638 -6.4634 3.4637 3.4664 3.5796 3.5833 3.7496 3.7526 3.8318 3.8336 4.2910 4.2920 4.3797 4.3804 6.3350 6.3352 6.8399 6.8400 8.2487 8.2494 8.8243 8.8250 13.7579 13.7585 k = 0.4651 0.4769-0.0026 ( 10678 PWs) bands (ev): -46.3150 -46.3150 -46.1348 -46.1348 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7242 -18.6925 -18.6892 -18.6531 -18.4367 -18.4340 -18.1689 -18.1664 -17.9254 -17.9135 -17.8480 -17.8300 -17.7977 -17.7814 -17.6864 -17.6826 -17.5626 -17.5611 -6.6206 -6.6204 -6.4639 -6.4633 3.4412 3.4445 3.5603 3.5645 3.7750 3.7786 3.8459 3.8486 4.2694 4.2704 4.4013 4.4019 6.3428 6.3431 6.8562 6.8563 8.1644 8.1652 8.9226 8.9234 13.7214 13.7222 k = 0.4535 0.4769-0.0026 ( 10682 PWs) bands (ev): -46.3159 -46.3159 -46.1339 -46.1339 -45.6970 -45.6970 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7290 -18.6978 -18.6826 -18.6455 -18.4377 -18.4341 -18.1689 -18.1656 -17.9286 -17.9128 -17.8510 -17.8272 -17.8000 -17.7785 -17.6867 -17.6816 -17.5629 -17.5609 -6.6245 -6.6242 -6.4640 -6.4632 3.4073 3.4105 3.5502 3.5541 3.7968 3.8005 3.8666 3.8695 4.2480 4.2491 4.4227 4.4232 6.3541 6.3544 6.8786 6.8787 8.0754 8.0761 9.0315 9.0324 13.6845 13.6856 k = 0.4419 0.4769-0.0026 ( 10694 PWs) bands (ev): -46.3170 -46.3170 -46.1329 -46.1329 -45.6970 -45.6970 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7336 -18.7029 -18.6758 -18.6377 -18.4389 -18.4343 -18.1687 -18.1647 -17.9320 -17.9126 -17.8539 -17.8247 -17.8020 -17.7757 -17.6869 -17.6805 -17.5633 -17.5607 -6.6293 -6.6289 -6.4641 -6.4631 3.3654 3.3681 3.5470 3.5505 3.8158 3.8192 3.8912 3.8941 4.2270 4.2282 4.4438 4.4443 6.3691 6.3695 6.9065 6.9067 7.9858 7.9866 9.1468 9.1477 13.6471 13.6487 k = 0.4302 0.4769-0.0026 ( 10682 PWs) bands (ev): -46.3183 -46.3183 -46.1316 -46.1316 -45.6970 -45.6970 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7378 -18.7076 -18.6689 -18.6297 -18.4402 -18.4346 -18.1685 -18.1636 -17.9358 -17.9130 -17.8565 -17.8223 -17.8038 -17.7729 -17.6869 -17.6794 -17.5636 -17.5606 -6.6351 -6.6346 -6.4642 -6.4631 3.3189 3.3213 3.5476 3.5509 3.8339 3.8369 3.9166 3.9193 4.2066 4.2080 4.4645 4.4650 6.3879 6.3884 6.9396 6.9398 7.8978 7.8985 9.2666 9.2675 13.6078 13.6102 k = 0.4186 0.4769-0.0026 ( 10668 PWs) bands (ev): -46.3198 -46.3198 -46.1301 -46.1301 -45.6971 -45.6971 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7417 -18.7119 -18.6619 -18.6215 -18.4416 -18.4350 -18.1683 -18.1624 -17.9398 -17.9140 -17.8589 -17.8202 -17.8052 -17.7702 -17.6868 -17.6783 -17.5640 -17.5605 -6.6417 -6.6412 -6.4645 -6.4633 3.2698 3.2720 3.5505 3.5539 3.8524 3.8552 3.9407 3.9433 4.1870 4.1885 4.4848 4.4853 6.4108 6.4113 6.9773 6.9775 7.8126 7.8133 9.3900 9.3909 13.5607 13.5642 k = 0.4070 0.4769-0.0026 ( 10664 PWs) bands (ev): -46.3215 -46.3215 -46.1284 -46.1284 -45.6971 -45.6971 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7452 -18.7158 -18.6548 -18.6131 -18.4432 -18.4355 -18.1679 -18.1612 -17.9441 -17.9156 -17.8608 -17.8185 -17.8060 -17.7676 -17.6866 -17.6770 -17.5644 -17.5604 -6.6492 -6.6486 -6.4649 -6.4635 3.2195 3.2214 3.5548 3.5583 3.8719 3.8745 3.9625 3.9650 4.1684 4.1700 4.5047 4.5051 6.4374 6.4379 7.0192 7.0193 7.7311 7.7317 9.5163 9.5172 13.4936 13.4966 k = 0.3953 0.4769-0.0026 ( 10662 PWs) bands (ev): -46.3233 -46.3233 -46.1266 -46.1266 -45.6972 -45.6972 -39.8120 -39.8120 -39.7315 -39.7315 -39.6178 -39.6178 -18.7484 -18.7194 -18.6476 -18.6046 -18.4450 -18.4360 -18.1675 -18.1598 -17.9487 -17.9179 -17.8624 -17.8174 -17.8062 -17.7651 -17.6862 -17.6758 -17.5648 -17.5604 -6.6573 -6.6568 -6.4655 -6.4640 3.1685 3.1702 3.5599 3.5637 3.8926 3.8950 3.9816 3.9839 4.1512 4.1530 4.5241 4.5245 6.4673 6.4679 7.0648 7.0649 7.6542 7.6548 9.6452 9.6461 13.4105 13.4123 k = 0.3837 0.4769-0.0026 ( 10660 PWs) bands (ev): -46.3253 -46.3253 -46.1246 -46.1246 -45.6972 -45.6972 -39.8120 -39.8120 -39.7315 -39.7315 -39.6178 -39.6178 -18.7512 -18.7225 -18.6404 -18.5959 -18.4468 -18.4366 -18.1671 -18.1584 -17.9535 -17.9210 -17.8635 -17.8169 -17.8056 -17.7627 -17.6858 -17.6745 -17.5652 -17.5603 -6.6662 -6.6656 -6.4662 -6.4646 3.1174 3.1189 3.5656 3.5696 3.9143 3.9166 3.9976 3.9998 4.1360 4.1378 4.5430 4.5434 6.4999 6.5004 7.1137 7.1138 7.5831 7.5837 9.7765 9.7773 13.3223 13.3235 k = 0.3721 0.4769-0.0026 ( 10650 PWs) bands (ev): -46.3274 -46.3274 -46.1225 -46.1225 -45.6973 -45.6973 -39.8120 -39.8120 -39.7315 -39.7315 -39.6178 -39.6178 -18.7536 -18.7253 -18.6333 -18.5872 -18.4488 -18.4373 -18.1666 -18.1569 -17.9586 -17.9246 -17.8641 -17.8169 -17.8044 -17.7605 -17.6852 -17.6732 -17.5657 -17.5603 -6.6756 -6.6751 -6.4671 -6.4654 3.0664 3.0679 3.5714 3.5757 3.9365 3.9386 4.0107 4.0126 4.1233 4.1252 4.5613 4.5617 6.5337 6.5343 7.1654 7.1655 7.5193 7.5197 9.9097 9.9106 13.2330 13.2338 k = 0.3605 0.4769-0.0026 ( 10650 PWs) bands (ev): -46.3297 -46.3297 -46.1203 -46.1203 -45.6973 -45.6973 -39.8119 -39.8119 -39.7316 -39.7316 -39.6178 -39.6178 -18.7557 -18.7277 -18.6262 -18.5783 -18.4508 -18.4379 -18.1662 -18.1554 -17.9639 -17.9289 -17.8644 -17.8172 -17.8028 -17.7583 -17.6845 -17.6718 -17.5661 -17.5604 -6.6856 -6.6850 -6.4682 -6.4664 3.0158 3.0172 3.5770 3.5816 3.9583 3.9601 4.0209 4.0224 4.1143 4.1164 4.5790 4.5794 6.5670 6.5674 7.2196 7.2197 7.4648 7.4650 10.0447 10.0456 13.1437 13.1443 k = 0.3488 0.4769-0.0026 ( 10656 PWs) bands (ev): -46.3320 -46.3320 -46.1180 -46.1180 -45.6974 -45.6974 -39.8119 -39.8119 -39.7316 -39.7316 -39.6178 -39.6178 -18.7574 -18.7297 -18.6192 -18.5695 -18.4530 -18.4385 -18.1658 -18.1538 -17.9694 -17.9337 -17.8642 -17.8176 -17.8011 -17.7564 -17.6837 -17.6704 -17.5665 -17.5604 -6.6961 -6.6955 -6.4695 -6.4677 2.9659 2.9672 3.5822 3.5870 3.9781 3.9794 4.0283 4.0290 4.1111 4.1134 4.5962 4.5966 6.5970 6.5974 7.2754 7.2755 7.4225 7.4226 10.1812 10.1821 13.0552 13.0556 k = 0.3372 0.4769-0.0026 ( 10636 PWs) bands (ev): -46.3344 -46.3344 -46.1156 -46.1156 -45.6975 -45.6975 -39.8119 -39.8119 -39.7316 -39.7316 -39.6178 -39.6178 -18.7587 -18.7313 -18.6123 -18.5606 -18.4552 -18.4390 -18.1654 -18.1522 -17.9750 -17.9389 -17.8638 -17.8180 -17.7992 -17.7545 -17.6828 -17.6691 -17.5670 -17.5605 -6.7069 -6.7064 -6.4710 -6.4691 2.9168 2.9181 3.5865 3.5915 3.9940 3.9946 4.0322 4.0330 4.1161 4.1186 4.6128 4.6132 6.6205 6.6208 7.3298 7.3299 7.3983 7.3984 10.3189 10.3198 12.9678 12.9681 k = 0.3256 0.4769-0.0026 ( 10640 PWs) bands (ev): -46.3368 -46.3368 -46.1132 -46.1132 -45.6975 -45.6975 -39.8118 -39.8118 -39.7316 -39.7316 -39.6178 -39.6178 -18.7597 -18.7325 -18.6056 -18.5517 -18.4575 -18.4395 -18.1650 -18.1506 -17.9807 -17.9445 -17.8632 -17.8183 -17.7972 -17.7528 -17.6817 -17.6677 -17.5674 -17.5606 -6.7181 -6.7176 -6.4727 -6.4708 2.8687 2.8698 3.5897 3.5948 4.0039 4.0044 4.0336 4.0351 4.1305 4.1331 4.6288 4.6292 6.6341 6.6344 7.3630 7.3633 7.4148 7.4150 10.4575 10.4583 12.8819 12.8821 k = 0.3140 0.4769-0.0026 ( 10642 PWs) bands (ev): -46.3393 -46.3393 -46.1107 -46.1107 -45.6976 -45.6976 -39.8118 -39.8118 -39.7316 -39.7316 -39.6179 -39.6179 -18.7603 -18.7334 -18.5991 -18.5429 -18.4599 -18.4398 -18.1648 -18.1491 -17.9866 -17.9503 -17.8623 -17.8186 -17.7953 -17.7512 -17.6806 -17.6663 -17.5678 -17.5607 -6.7296 -6.7291 -6.4746 -6.4726 2.8216 2.8227 3.5915 3.5966 4.0075 4.0080 4.0354 4.0366 4.1532 4.1557 4.6441 4.6446 6.6355 6.6359 7.3779 7.3784 7.4710 7.4711 10.5965 10.5973 12.7980 12.7982 k = 0.3023 0.4769-0.0026 ( 10642 PWs) bands (ev): -46.3418 -46.3418 -46.1082 -46.1082 -45.6977 -45.6977 -39.8118 -39.8118 -39.7316 -39.7316 -39.6179 -39.6179 -18.7606 -18.7339 -18.5928 -18.5341 -18.4623 -18.4400 -18.1647 -18.1476 -17.9925 -17.9564 -17.8612 -17.8188 -17.7934 -17.7498 -17.6794 -17.6650 -17.5683 -17.5608 -6.7414 -6.7408 -6.4766 -6.4746 2.7756 2.7767 3.5916 3.5968 4.0058 4.0062 4.0392 4.0397 4.1818 4.1841 4.6589 4.6594 6.6243 6.6247 7.4055 7.4061 7.5359 7.5360 10.7352 10.7360 12.7166 12.7167 k = 0.2907 0.4769-0.0026 ( 10648 PWs) bands (ev): -46.3443 -46.3443 -46.1057 -46.1057 -45.6978 -45.6978 -39.8117 -39.8117 -39.7316 -39.7316 -39.6179 -39.6179 -18.7605 -18.7341 -18.5869 -18.5254 -18.4647 -18.4400 -18.1647 -18.1461 -17.9984 -17.9626 -17.8600 -17.8189 -17.7915 -17.7486 -17.6782 -17.6636 -17.5687 -17.5610 -6.7533 -6.7527 -6.4788 -6.4768 2.7310 2.7320 3.5899 3.5951 4.0003 4.0009 4.0449 4.0454 4.2141 4.2164 4.6730 4.6735 6.6020 6.6026 7.4482 7.4489 7.6049 7.6050 10.8730 10.8737 12.6384 12.6386 k = 0.2791 0.4769-0.0026 ( 10646 PWs) bands (ev): -46.3468 -46.3468 -46.1032 -46.1032 -45.6979 -45.6979 -39.8117 -39.8117 -39.7317 -39.7317 -39.6179 -39.6179 -18.7601 -18.7339 -18.5812 -18.5169 -18.4672 -18.4397 -18.1648 -18.1448 -18.0043 -17.9689 -17.8587 -17.8189 -17.7896 -17.7474 -17.6768 -17.6623 -17.5691 -17.5611 -6.7653 -6.7647 -6.4811 -6.4791 2.6876 2.6886 3.5865 3.5915 3.9926 3.9933 4.0527 4.0533 4.2490 4.2513 4.6865 4.6871 6.5714 6.5720 7.5029 7.5035 7.6780 7.6782 11.0086 11.0093 12.5645 12.5646 k = 0.2674 0.4769-0.0026 ( 10656 PWs) bands (ev): -46.3493 -46.3493 -46.1008 -46.1008 -45.6980 -45.6980 -39.8117 -39.8117 -39.7317 -39.7317 -39.6179 -39.6179 -18.7593 -18.7334 -18.5760 -18.5086 -18.4696 -18.4393 -18.1651 -18.1435 -18.0102 -17.9753 -17.8573 -17.8189 -17.7878 -17.7464 -17.6754 -17.6610 -17.5695 -17.5613 -6.7773 -6.7768 -6.4836 -6.4816 2.6457 2.6466 3.5814 3.5862 3.9833 3.9841 4.0627 4.0635 4.2857 4.2880 4.6993 4.7000 6.5350 6.5356 7.5655 7.5661 7.7560 7.7564 11.1404 11.1411 12.4963 12.4964 k = 0.2558 0.4769-0.0026 ( 10658 PWs) bands (ev): -46.3518 -46.3518 -46.0983 -46.0983 -45.6981 -45.6981 -39.8116 -39.8116 -39.7317 -39.7317 -39.6180 -39.6180 -18.7583 -18.7326 -18.5711 -18.5005 -18.4721 -18.4385 -18.1656 -18.1424 -18.0159 -17.9816 -17.8557 -17.8188 -17.7859 -17.7455 -17.6740 -17.6598 -17.5698 -17.5616 -6.7893 -6.7888 -6.4862 -6.4842 2.6052 2.6061 3.5747 3.5793 3.9729 3.9737 4.0750 4.0757 4.3236 4.3259 4.7115 4.7122 6.4951 6.4957 7.6323 7.6328 7.8400 7.8405 11.2659 11.2666 12.4360 12.4361 k = 0.2442 0.4769-0.0026 ( 10658 PWs) bands (ev): -46.3542 -46.3542 -46.0959 -46.0959 -45.6981 -45.6981 -39.8116 -39.8116 -39.7317 -39.7317 -39.6180 -39.6180 -18.7569 -18.7316 -18.5666 -18.4928 -18.4743 -18.4375 -18.1663 -18.1415 -18.0214 -17.9879 -17.8541 -17.8187 -17.7841 -17.7448 -17.6725 -17.6586 -17.5702 -17.5618 -6.8013 -6.8008 -6.4888 -6.4868 2.5663 2.5671 3.5666 3.5710 3.9617 3.9625 4.0894 4.0900 4.3624 4.3648 4.7231 4.7239 6.4533 6.4539 7.7001 7.7006 7.9310 7.9317 11.3813 11.3820 12.3872 12.3873 k = 0.2326 0.4769-0.0026 ( 10656 PWs) bands (ev): -46.3566 -46.3566 -46.0936 -46.0936 -45.6982 -45.6982 -39.8116 -39.8116 -39.7317 -39.7317 -39.6180 -39.6180 -18.7553 -18.7303 -18.5625 -18.4861 -18.4759 -18.4361 -18.1672 -18.1408 -18.0268 -17.9940 -17.8525 -17.8185 -17.7824 -17.7442 -17.6710 -17.6574 -17.5705 -17.5620 -6.8131 -6.8126 -6.4915 -6.4896 2.5289 2.5297 3.5575 3.5616 3.9499 3.9505 4.1055 4.1061 4.4017 4.4042 4.7340 4.7349 6.4108 6.4114 7.7669 7.7673 8.0293 8.0302 11.4809 11.4815 12.3550 12.3551 k = 0.2209 0.4769-0.0026 ( 10638 PWs) bands (ev): -46.3589 -46.3589 -46.0913 -46.0913 -45.6983 -45.6983 -39.8115 -39.8115 -39.7317 -39.7317 -39.6180 -39.6180 -18.7534 -18.7287 -18.5589 -18.4830 -18.4742 -18.4344 -18.1683 -18.1404 -18.0319 -18.0000 -17.8507 -17.8183 -17.7806 -17.7437 -17.6695 -17.6563 -17.5708 -17.5623 -6.8248 -6.8243 -6.4942 -6.4924 2.4932 2.4939 3.5474 3.5513 3.9376 3.9382 4.1232 4.1238 4.4413 4.4440 4.7443 4.7453 6.3685 6.3691 7.8315 7.8317 8.1350 8.1359 11.5572 11.5578 12.3462 12.3463 k = 0.2093 0.4769-0.0026 ( 10644 PWs) bands (ev): -46.3611 -46.3611 -46.0891 -46.0891 -45.6984 -45.6984 -39.8115 -39.8115 -39.7318 -39.7318 -39.6180 -39.6180 -18.7513 -18.7270 -18.5557 -18.4842 -18.4685 -18.4324 -18.1696 -18.1403 -18.0366 -18.0058 -17.8490 -17.8181 -17.7789 -17.7433 -17.6680 -17.6553 -17.5711 -17.5626 -6.8362 -6.8358 -6.4970 -6.4952 2.4591 2.4598 3.5368 3.5404 3.9251 3.9256 4.1421 4.1427 4.4809 4.4837 4.7539 4.7550 6.3270 6.3275 7.8933 7.8935 8.2473 8.2484 11.6039 11.6044 12.3662 12.3663 k = 0.1977 0.4769-0.0026 ( 10654 PWs) bands (ev): -46.3633 -46.3633 -46.0869 -46.0869 -45.6985 -45.6985 -39.8114 -39.8114 -39.7318 -39.7318 -39.6181 -39.6181 -18.7489 -18.7251 -18.5528 -18.4864 -18.4621 -18.4301 -18.1711 -18.1405 -18.0410 -18.0113 -17.8472 -17.8178 -17.7773 -17.7430 -17.6665 -17.6543 -17.5713 -17.5629 -6.8473 -6.8469 -6.4998 -6.4980 2.4267 2.4274 3.5258 3.5292 3.9125 3.9130 4.1620 4.1627 4.5202 4.5232 4.7628 4.7642 6.2866 6.2871 7.9523 7.9523 8.3656 8.3668 11.6198 11.6203 12.4144 12.4145 k = 0.1860 0.4769-0.0026 ( 10666 PWs) bands (ev): -46.3654 -46.3654 -46.0849 -46.0849 -45.6986 -45.6986 -39.8114 -39.8114 -39.7318 -39.7318 -39.6181 -39.6181 -18.7464 -18.7231 -18.5504 -18.4888 -18.4559 -18.4276 -18.1728 -18.1410 -18.0451 -18.0165 -17.8454 -17.8176 -17.7756 -17.7429 -17.6651 -17.6534 -17.5715 -17.5632 -6.8581 -6.8577 -6.5025 -6.5008 2.3960 2.3966 3.5146 3.5177 3.9000 3.9004 4.1825 4.1833 4.5589 4.5621 4.7712 4.7728 6.2477 6.2482 8.0083 8.0083 8.4892 8.4904 11.6105 11.6109 12.4824 12.4825 k = 0.1744 0.4769-0.0026 ( 10676 PWs) bands (ev): -46.3673 -46.3673 -46.0829 -46.0829 -45.6986 -45.6986 -39.8114 -39.8114 -39.7318 -39.7318 -39.6181 -39.6181 -18.7437 -18.7210 -18.5483 -18.4913 -18.4501 -18.4248 -18.1746 -18.1420 -18.0486 -18.0214 -17.8435 -17.8174 -17.7740 -17.7428 -17.6636 -17.6525 -17.5717 -17.5635 -6.8685 -6.8681 -6.5052 -6.5035 2.3671 2.3676 3.5035 3.5063 3.8877 3.8881 4.2033 4.2042 4.5968 4.6003 4.7789 4.7808 6.2106 6.2111 8.0614 8.0614 8.6174 8.6186 11.5843 11.5846 12.5572 12.5574 k = 0.1628 0.4769-0.0026 ( 10678 PWs) bands (ev): -46.3692 -46.3692 -46.0810 -46.0810 -45.6987 -45.6987 -39.8114 -39.8113 -39.7318 -39.7318 -39.6181 -39.6181 -18.7409 -18.7188 -18.5464 -18.4938 -18.4446 -18.4218 -18.1766 -18.1433 -18.0518 -18.0260 -17.8417 -17.8172 -17.7724 -17.7429 -17.6622 -17.6517 -17.5718 -17.5639 -6.8785 -6.8781 -6.5078 -6.5062 2.3399 2.3404 3.4924 3.4951 3.8757 3.8760 4.2243 4.2253 4.6336 4.6375 4.7860 4.7884 6.1754 6.1758 8.1115 8.1115 8.7496 8.7509 11.5480 11.5484 12.6233 12.6236 k = 0.1512 0.4769-0.0026 ( 10682 PWs) bands (ev): -46.3710 -46.3710 -46.0793 -46.0793 -45.6988 -45.6988 -39.8113 -39.8113 -39.7318 -39.7318 -39.6181 -39.6181 -18.7379 -18.7167 -18.5448 -18.4963 -18.4395 -18.4187 -18.1786 -18.1451 -18.0544 -18.0301 -17.8399 -17.8170 -17.7708 -17.7431 -17.6608 -17.6510 -17.5718 -17.5642 -6.8880 -6.8877 -6.5103 -6.5088 2.3145 2.3150 3.4817 3.4841 3.8641 3.8644 4.2452 4.2462 4.6688 4.6734 4.7926 4.7957 6.1423 6.1426 8.1587 8.1587 8.8854 8.8866 11.5066 11.5069 12.6621 12.6625 k = 0.1395 0.4769-0.0026 ( 10678 PWs) bands (ev): -46.3727 -46.3727 -46.0776 -46.0776 -45.6989 -45.6989 -39.8113 -39.8113 -39.7319 -39.7319 -39.6182 -39.6182 -18.7349 -18.7145 -18.5434 -18.4988 -18.4348 -18.4156 -18.1805 -18.1472 -18.0567 -18.0340 -17.8381 -17.8169 -17.7693 -17.7433 -17.6595 -17.6503 -17.5719 -17.5646 -6.8970 -6.8966 -6.5127 -6.5113 2.2910 2.2914 3.4714 3.4736 3.8531 3.8534 4.2656 4.2668 4.7022 4.7077 4.7987 4.8027 6.1113 6.1116 8.2028 8.2028 9.0241 9.0254 11.4631 11.4634 12.6563 12.6567 k = 0.1279 0.4769-0.0026 ( 10682 PWs) bands (ev): -46.3742 -46.3742 -46.0761 -46.0761 -45.6989 -45.6989 -39.8113 -39.8113 -39.7319 -39.7319 -39.6182 -39.6182 -18.7319 -18.7125 -18.5421 -18.5014 -18.4305 -18.4125 -18.1824 -18.1498 -18.0584 -18.0375 -17.8363 -17.8168 -17.7678 -17.7437 -17.6582 -17.6498 -17.5719 -17.5650 -6.9054 -6.9051 -6.5150 -6.5136 2.2692 2.2697 3.4616 3.4636 3.8427 3.8429 4.2855 4.2867 4.7330 4.7398 4.8047 4.8101 6.0825 6.0829 8.2437 8.2438 9.1655 9.1668 11.4195 11.4197 12.6022 12.6026 k = 0.1163 0.4769-0.0026 ( 10688 PWs) bands (ev): -46.3757 -46.3757 -46.0746 -46.0746 -45.6990 -45.6990 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7288 -18.7105 -18.5409 -18.5039 -18.4265 -18.4096 -18.1842 -18.1526 -18.0598 -18.0406 -17.8346 -17.8168 -17.7663 -17.7441 -17.6570 -17.6493 -17.5718 -17.5654 -6.9132 -6.9129 -6.5171 -6.5159 2.2494 2.2497 3.4524 3.4542 3.8329 3.8331 4.3045 4.3057 4.7601 4.7690 4.8110 4.8186 6.0561 6.0564 8.2815 8.2816 9.3091 9.3103 11.3771 11.3773 12.5116 12.5121 k = 0.1047 0.4769-0.0026 ( 10702 PWs) bands (ev): -46.3770 -46.3770 -46.0733 -46.0733 -45.6990 -45.6990 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7257 -18.7087 -18.5397 -18.5063 -18.4228 -18.4070 -18.1858 -18.1557 -18.0607 -18.0434 -17.8329 -17.8168 -17.7648 -17.7446 -17.6559 -17.6489 -17.5717 -17.5657 -6.9203 -6.9201 -6.5191 -6.5180 2.2313 2.2317 3.4439 3.4455 3.8239 3.8241 4.3225 4.3236 4.7817 4.7926 4.8203 4.8299 6.0321 6.0323 8.3159 8.3160 9.4543 9.4555 11.3369 11.3371 12.3981 12.3988 k = 0.0930 0.4769-0.0026 ( 10690 PWs) bands (ev): -46.3782 -46.3782 -46.0722 -46.0722 -45.6991 -45.6991 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7227 -18.7071 -18.5386 -18.5088 -18.4193 -18.4047 -18.1871 -18.1590 -18.0614 -18.0460 -17.8312 -17.8169 -17.7633 -17.7453 -17.6548 -17.6485 -17.5716 -17.5662 -6.9268 -6.9266 -6.5209 -6.5199 2.2152 2.2155 3.4362 3.4376 3.8158 3.8159 4.3392 4.3403 4.7963 4.8059 4.8370 4.8454 6.0104 6.0106 8.3470 8.3471 9.6006 9.6018 11.2995 11.2997 12.2712 12.2719 k = 0.0814 0.4769-0.0026 ( 10684 PWs) bands (ev): -46.3792 -46.3792 -46.0711 -46.0711 -45.6991 -45.6991 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7198 -18.7058 -18.5374 -18.5112 -18.4162 -18.4028 -18.1881 -18.1624 -18.0617 -18.0482 -17.8297 -17.8171 -17.7619 -17.7459 -17.6538 -17.6483 -17.5714 -17.5666 -6.9327 -6.9325 -6.5225 -6.5216 2.2009 2.2011 3.4292 3.4305 3.8084 3.8086 4.3545 4.3555 4.8051 4.8120 4.8577 4.8635 5.9912 5.9914 8.3746 8.3747 9.7472 9.7484 11.2655 11.2657 12.1364 12.1372 k = 0.0698 0.4769-0.0026 ( 10684 PWs) bands (ev): -46.3801 -46.3801 -46.0702 -46.0702 -45.6992 -45.6992 -39.8112 -39.8112 -39.7319 -39.7319 -39.6182 -39.6182 -18.7171 -18.7047 -18.5362 -18.5136 -18.4132 -18.4012 -18.1887 -18.1658 -18.0618 -18.0502 -17.8282 -17.8174 -17.7605 -17.7467 -17.6528 -17.6481 -17.5712 -17.5670 -6.9377 -6.9376 -6.5239 -6.5231 2.1885 2.1887 3.4231 3.4242 3.8020 3.8021 4.3681 4.3691 4.8107 4.8156 4.8777 4.8816 5.9746 5.9747 8.3986 8.3987 9.8931 9.8942 11.2354 11.2355 11.9977 11.9985 k = 0.0581 0.4769-0.0026 ( 10688 PWs) bands (ev): -46.3809 -46.3809 -46.0695 -46.0695 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7145 -18.7039 -18.5348 -18.5159 -18.4105 -18.4001 -18.1889 -18.1692 -18.0617 -18.0521 -17.8267 -17.8177 -17.7591 -17.7476 -17.6520 -17.6480 -17.5710 -17.5674 -6.9421 -6.9419 -6.5251 -6.5245 2.1780 2.1782 3.4179 3.4188 3.7965 3.7966 4.3800 4.3808 4.8145 4.8181 4.8954 4.8981 5.9604 5.9605 8.4191 8.4191 10.0367 10.0378 11.2094 11.2096 11.8582 11.8590 k = 0.0465 0.4769-0.0026 ( 10684 PWs) bands (ev): -46.3816 -46.3816 -46.0688 -46.0688 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7121 -18.7035 -18.5334 -18.5182 -18.4081 -18.3995 -18.1887 -18.1725 -18.0614 -18.0537 -17.8254 -17.8182 -17.7578 -17.7485 -17.6512 -17.6481 -17.5707 -17.5678 -6.9456 -6.9455 -6.5261 -6.5256 2.1694 2.1695 3.4136 3.4143 3.7920 3.7920 4.3900 4.3907 4.8172 4.8198 4.9103 4.9122 5.9488 5.9489 8.4359 8.4359 10.1756 10.1767 11.1879 11.1880 11.7217 11.7225 k = 0.0349 0.4769-0.0026 ( 10686 PWs) bands (ev): -46.3821 -46.3821 -46.0683 -46.0683 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7099 -18.7034 -18.5319 -18.5204 -18.4059 -18.3992 -18.1880 -18.1756 -18.0609 -18.0551 -17.8241 -17.8187 -17.7565 -17.7495 -17.6505 -17.6482 -17.5704 -17.5682 -6.9484 -6.9484 -6.5268 -6.5265 2.1627 2.1628 3.4103 3.4108 3.7884 3.7885 4.3979 4.3984 4.8192 4.8211 4.9221 4.9234 5.9397 5.9398 8.4490 8.4490 10.3054 10.3063 11.1711 11.1712 11.5930 11.5938 k = 0.0233 0.4769-0.0026 ( 10684 PWs) bands (ev): -46.3824 -46.3824 -46.0680 -46.0680 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7080 -18.7036 -18.5303 -18.5226 -18.4039 -18.3994 -18.1869 -18.1785 -18.0603 -18.0564 -17.8230 -17.8194 -17.7552 -17.7505 -17.6499 -17.6483 -17.5701 -17.5686 -6.9504 -6.9504 -6.5274 -6.5271 2.1579 2.1580 3.4079 3.4082 3.7859 3.7859 4.4036 4.4040 4.8207 4.8218 4.9306 4.9315 5.9332 5.9333 8.4584 8.4584 10.4181 10.4188 11.1592 11.1592 11.4807 11.4814 k = 0.0116 0.4769-0.0026 ( 10688 PWs) bands (ev): -46.3826 -46.3826 -46.0678 -46.0678 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6183 -39.6183 -18.7064 -18.7042 -18.5285 -18.5247 -18.4023 -18.4000 -18.1854 -18.1812 -18.0595 -18.0576 -17.8219 -17.8201 -17.7539 -17.7516 -17.6494 -17.6486 -17.5697 -17.5690 -6.9516 -6.9516 -6.5277 -6.5275 2.1551 2.1551 3.4065 3.4067 3.7844 3.7844 4.4071 4.4073 4.8216 4.8222 4.9359 4.9363 5.9294 5.9294 8.4640 8.4641 10.4995 10.4999 11.1523 11.1523 11.3993 11.3997 k = 0.0000 0.4769-0.0026 ( 10690 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6183 -39.6183 -18.7052 -18.7052 -18.5266 -18.5266 -18.4010 -18.4010 -18.1834 -18.1834 -18.0586 -18.0586 -17.8210 -17.8210 -17.7528 -17.7528 -17.6490 -17.6490 -17.5694 -17.5694 -6.9520 -6.9520 -6.5277 -6.5277 2.1541 2.1541 3.4061 3.4061 3.7838 3.7838 4.4084 4.4084 4.8221 4.8221 4.9378 4.9378 5.9281 5.9281 8.4659 8.4659 10.5304 10.5304 11.1501 11.1501 11.3687 11.3687 k = 0.0000 0.4769-0.0026 ( 10690 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6183 -39.6183 -18.7052 -18.7052 -18.5266 -18.5266 -18.4010 -18.4010 -18.1834 -18.1834 -18.0586 -18.0586 -17.8210 -17.8210 -17.7528 -17.7528 -17.6490 -17.6490 -17.5694 -17.5694 -6.9520 -6.9520 -6.5277 -6.5277 2.1541 2.1541 3.4061 3.4061 3.7838 3.7838 4.4084 4.4084 4.8221 4.8221 4.9378 4.9378 5.9281 5.9281 8.4659 8.4659 10.5304 10.5304 11.1501 11.1501 11.3687 11.3687 k = 0.0000 0.4770 0.0089 ( 10679 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6183 -39.6183 -18.7052 -18.7052 -18.5266 -18.5266 -18.4011 -18.4009 -18.1838 -18.1830 -18.0588 -18.0584 -17.8211 -17.8208 -17.7528 -17.7527 -17.6490 -17.6489 -17.5695 -17.5694 -6.9517 -6.9516 -6.5282 -6.5281 2.1550 2.1551 3.4072 3.4072 3.7805 3.7805 4.4083 4.4083 4.8204 4.8204 4.9378 4.9378 5.9325 5.9325 8.4642 8.4642 10.5320 10.5320 11.1524 11.1524 11.3700 11.3700 k = 0.0000 0.4770 0.0205 ( 10680 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6183 -39.6183 -18.7052 -18.7051 -18.5266 -18.5265 -18.4012 -18.4009 -18.1842 -18.1826 -18.0591 -18.0582 -17.8213 -17.8207 -17.7529 -17.7527 -17.6491 -17.6487 -17.5696 -17.5694 -6.9505 -6.9505 -6.5294 -6.5293 2.1577 2.1578 3.4104 3.4106 3.7704 3.7705 4.4082 4.4082 4.8155 4.8155 4.9379 4.9379 5.9458 5.9458 8.4590 8.4590 10.5369 10.5370 11.1593 11.1594 11.3739 11.3739 k = 0.0000 0.4771 0.0320 ( 10671 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7052 -18.7051 -18.5265 -18.5263 -18.4012 -18.4008 -18.1845 -18.1822 -18.0593 -18.0580 -17.8214 -17.8206 -17.7529 -17.7527 -17.6491 -17.6486 -17.5698 -17.5696 -6.9486 -6.9485 -6.5315 -6.5314 2.1622 2.1623 3.4158 3.4161 3.7540 3.7541 4.4080 4.4080 4.8073 4.8073 4.9381 4.9381 5.9675 5.9675 8.4503 8.4504 10.5451 10.5453 11.1708 11.1709 11.3805 11.3805 k = 0.0000 0.4772 0.0435 ( 10670 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7052 -18.7051 -18.5264 -18.5261 -18.4013 -18.4007 -18.1847 -18.1817 -18.0596 -18.0579 -17.8216 -17.8205 -17.7530 -17.7527 -17.6491 -17.6484 -17.5701 -17.5698 -6.9460 -6.9458 -6.5343 -6.5342 2.1685 2.1686 3.4234 3.4238 3.7316 3.7318 4.4077 4.4077 4.7959 4.7960 4.9383 4.9383 5.9973 5.9973 8.4383 8.4384 10.5566 10.5569 11.1867 11.1868 11.3897 11.3897 k = 0.0000 0.4772 0.0551 ( 10674 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7052 -18.7051 -18.5262 -18.5258 -18.4014 -18.4007 -18.1849 -18.1813 -18.0599 -18.0578 -17.8218 -17.8204 -17.7531 -17.7527 -17.6491 -17.6483 -17.5705 -17.5701 -6.9426 -6.9424 -6.5380 -6.5378 2.1766 2.1768 3.4331 3.4337 3.7039 3.7042 4.4074 4.4074 4.7815 4.7815 4.9386 4.9386 6.0346 6.0346 8.4228 8.4230 10.5715 10.5718 11.2070 11.2071 11.4015 11.4015 k = 0.0000 0.4773 0.0666 ( 10669 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6993 -45.6993 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7051 -18.7051 -18.5259 -18.5255 -18.4015 -18.4007 -18.1851 -18.1808 -18.0602 -18.0577 -17.8219 -17.8203 -17.7532 -17.7528 -17.6491 -17.6481 -17.5709 -17.5704 -6.9384 -6.9382 -6.5424 -6.5422 2.1865 2.1867 3.4447 3.4456 3.6714 3.6719 4.4069 4.4069 4.7640 4.7640 4.9390 4.9390 6.0786 6.0787 8.4040 8.4042 10.5897 10.5901 11.2313 11.2314 11.4159 11.4159 k = 0.0000 0.4773 0.0781 ( 10663 PWs) bands (ev): -46.3827 -46.3827 -46.0677 -46.0677 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7051 -18.7050 -18.5257 -18.5252 -18.4016 -18.4006 -18.1852 -18.1804 -18.0604 -18.0577 -17.8220 -17.8202 -17.7533 -17.7528 -17.6490 -17.6479 -17.5713 -17.5708 -6.9336 -6.9333 -6.5476 -6.5474 2.1982 2.1983 3.4582 3.4594 3.6349 3.6358 4.4064 4.4064 4.7437 4.7437 4.9394 4.9394 6.1288 6.1288 8.3819 8.3821 10.6112 10.6117 11.2594 11.2596 11.4329 11.4329 k = 0.0000 0.4774 0.0897 ( 10658 PWs) bands (ev): -46.3827 -46.3827 -46.0678 -46.0678 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7051 -18.7050 -18.5254 -18.5249 -18.4017 -18.4006 -18.1853 -18.1800 -18.0607 -18.0577 -17.8222 -17.8202 -17.7534 -17.7529 -17.6489 -17.6477 -17.5718 -17.5712 -6.9280 -6.9278 -6.5536 -6.5533 2.2116 2.2118 3.4731 3.4750 3.5953 3.5968 4.4059 4.4059 4.7207 4.7207 4.9399 4.9399 6.1843 6.1843 8.3565 8.3568 10.6360 10.6366 11.2911 11.2913 11.4525 11.4525 k = 0.0000 0.4775 0.1012 ( 10662 PWs) bands (ev): -46.3827 -46.3827 -46.0678 -46.0678 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7051 -18.7050 -18.5250 -18.5245 -18.4018 -18.4006 -18.1853 -18.1796 -18.0610 -18.0577 -17.8223 -17.8201 -17.7536 -17.7529 -17.6488 -17.6475 -17.5723 -17.5717 -6.9218 -6.9215 -6.5602 -6.5599 2.2267 2.2269 3.4875 3.4911 3.5542 3.5575 4.4053 4.4053 4.6952 4.6952 4.9404 4.9404 6.2445 6.2445 8.3280 8.3282 10.6642 10.6648 11.3261 11.3263 11.4746 11.4746 k = 0.0000 0.4775 0.1127 ( 10662 PWs) bands (ev): -46.3826 -46.3826 -46.0678 -46.0678 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7051 -18.7050 -18.5247 -18.5241 -18.4018 -18.4006 -18.1853 -18.1792 -18.0612 -18.0577 -17.8224 -17.8201 -17.7537 -17.7530 -17.6487 -17.6473 -17.5729 -17.5723 -6.9149 -6.9146 -6.5675 -6.5671 2.2436 2.2438 3.4868 3.4934 3.5266 3.5328 4.4047 4.4047 4.6673 4.6673 4.9410 4.9410 6.3087 6.3088 8.2963 8.2966 10.6957 10.6964 11.3639 11.3642 11.4993 11.4993 k = 0.0000 0.4776 0.1242 ( 10669 PWs) bands (ev): -46.3826 -46.3826 -46.0678 -46.0678 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7050 -18.7049 -18.5243 -18.5237 -18.4019 -18.4007 -18.1852 -18.1789 -18.0614 -18.0578 -17.8225 -17.8201 -17.7538 -17.7531 -17.6485 -17.6471 -17.5735 -17.5728 -6.9075 -6.9071 -6.5754 -6.5750 2.2622 2.2624 3.4511 3.4544 3.5405 3.5433 4.4040 4.4040 4.6373 4.6373 4.9415 4.9415 6.3764 6.3764 8.2615 8.2618 10.7305 10.7312 11.4042 11.4044 11.5265 11.5265 k = 0.0000 0.4777 0.1358 ( 10669 PWs) bands (ev): -46.3826 -46.3826 -46.0678 -46.0678 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7050 -18.7049 -18.5239 -18.5233 -18.4020 -18.4007 -18.1850 -18.1786 -18.0616 -18.0579 -17.8226 -17.8202 -17.7539 -17.7532 -17.6484 -17.6469 -17.5741 -17.5734 -6.8994 -6.8990 -6.5839 -6.5835 2.2824 2.2826 3.4051 3.4072 3.5629 3.5646 4.4033 4.4033 4.6053 4.6054 4.9421 4.9421 6.4469 6.4469 8.2237 8.2241 10.7686 10.7694 11.4463 11.4466 11.5562 11.5562 k = 0.0000 0.4777 0.1473 ( 10671 PWs) bands (ev): -46.3826 -46.3826 -46.0678 -46.0678 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6183 -39.6183 -18.7050 -18.7049 -18.5234 -18.5229 -18.4020 -18.4007 -18.1848 -18.1784 -18.0618 -18.0581 -17.8226 -17.8202 -17.7540 -17.7533 -17.6482 -17.6467 -17.5746 -17.5740 -6.8908 -6.8904 -6.5929 -6.5925 2.3042 2.3045 3.3568 3.3584 3.5879 3.5891 4.4027 4.4027 4.5716 4.5717 4.9427 4.9427 6.5196 6.5197 8.1830 8.1834 10.8100 10.8108 11.4897 11.4901 11.5883 11.5883 k = 0.0000 0.4778 0.1588 ( 10659 PWs) bands (ev): -46.3826 -46.3826 -46.0679 -46.0679 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7050 -18.7049 -18.5230 -18.5225 -18.4020 -18.4008 -18.1846 -18.1782 -18.0620 -18.0582 -17.8227 -17.8203 -17.7541 -17.7534 -17.6481 -17.6465 -17.5752 -17.5746 -6.8817 -6.8813 -6.6025 -6.6020 2.3275 2.3278 3.3075 3.3088 3.6147 3.6156 4.4020 4.4020 4.5365 4.5366 4.9433 4.9433 6.5942 6.5943 8.1395 8.1398 10.8545 10.8554 11.5338 11.5342 11.6229 11.6229 k = 0.0000 0.4778 0.1704 ( 10661 PWs) bands (ev): -46.3826 -46.3826 -46.0679 -46.0679 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7049 -18.7048 -18.5226 -18.5221 -18.4021 -18.4008 -18.1843 -18.1781 -18.0621 -18.0584 -17.8227 -17.8204 -17.7542 -17.7535 -17.6479 -17.6464 -17.5758 -17.5752 -6.8722 -6.8717 -6.6124 -6.6120 2.3524 2.3527 3.2580 3.2591 3.6431 3.6437 4.4013 4.4013 4.5002 4.5003 4.9439 4.9439 6.6701 6.6702 8.0932 8.0935 10.9021 10.9030 11.5776 11.5781 11.6597 11.6597 k = 0.0000 0.4779 0.1819 ( 10657 PWs) bands (ev): -46.3826 -46.3826 -46.0679 -46.0679 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7049 -18.7048 -18.5222 -18.5217 -18.4021 -18.4009 -18.1840 -18.1780 -18.0621 -18.0586 -17.8227 -17.8205 -17.7543 -17.7536 -17.6477 -17.6462 -17.5763 -17.5757 -6.8622 -6.8618 -6.6228 -6.6223 2.3786 2.3789 3.2086 3.2096 3.6728 3.6733 4.4006 4.4006 4.4630 4.4631 4.9444 4.9444 6.7469 6.7471 8.0442 8.0445 10.9525 10.9535 11.6201 11.6207 11.6988 11.6988 k = 0.0000 0.4780 0.1934 ( 10657 PWs) bands (ev): -46.3826 -46.3826 -46.0679 -46.0679 -45.6992 -45.6992 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7049 -18.7048 -18.5218 -18.5213 -18.4021 -18.4010 -18.1836 -18.1780 -18.0622 -18.0589 -17.8227 -17.8206 -17.7543 -17.7537 -17.6475 -17.6461 -17.5768 -17.5763 -6.8520 -6.8515 -6.6334 -6.6329 2.4060 2.4064 3.1598 3.1608 3.7036 3.7040 4.3997 4.3998 4.4254 4.4254 4.9450 4.9450 6.8243 6.8244 7.9926 7.9930 11.0055 11.0066 11.6601 11.6608 11.7400 11.7400 k = 0.0000 0.4780 0.2050 ( 10671 PWs) bands (ev): -46.3826 -46.3826 -46.0679 -46.0679 -45.6992 -45.6992 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7049 -18.7048 -18.5215 -18.5210 -18.4021 -18.4011 -18.1832 -18.1780 -18.0622 -18.0591 -17.8226 -17.8207 -17.7544 -17.7538 -17.6473 -17.6461 -17.5773 -17.5768 -6.8415 -6.8410 -6.6442 -6.6437 2.4345 2.4349 3.1120 3.1129 3.7352 3.7356 4.3859 4.3860 4.4005 4.4005 4.9454 4.9454 6.9017 6.9019 7.9387 7.9391 11.0607 11.0618 11.6960 11.6968 11.7832 11.7832 k = 0.0000 0.4781 0.2165 ( 10671 PWs) bands (ev): -46.3826 -46.3826 -46.0680 -46.0680 -45.6992 -45.6992 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7048 -18.7048 -18.5211 -18.5207 -18.4021 -18.4011 -18.1828 -18.1781 -18.0621 -18.0594 -17.8226 -17.8209 -17.7544 -17.7539 -17.6471 -17.6460 -17.5777 -17.5773 -6.8309 -6.8304 -6.6551 -6.6546 2.4638 2.4642 3.0657 3.0664 3.7673 3.7676 4.3485 4.3486 4.3994 4.3994 4.9459 4.9459 6.9788 6.9790 7.8826 7.8829 11.1175 11.1187 11.7260 11.7269 11.8279 11.8279 k = 0.0000 0.4782 0.2280 ( 10658 PWs) bands (ev): -46.3826 -46.3826 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7048 -18.7047 -18.5208 -18.5205 -18.4020 -18.4012 -18.1823 -18.1783 -18.0620 -18.0597 -17.8225 -17.8210 -17.7545 -17.7540 -17.6469 -17.6460 -17.5780 -17.5777 -6.8203 -6.8199 -6.6660 -6.6655 2.4934 2.4938 3.0213 3.0220 3.7995 3.7997 4.3114 4.3114 4.3989 4.3989 4.9463 4.9463 7.0550 7.0553 7.8245 7.8248 11.1750 11.1761 11.7482 11.7491 11.8739 11.8739 k = 0.0000 0.4782 0.2395 ( 10654 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7319 -39.7319 -39.6182 -39.6182 -18.7048 -18.7047 -18.5206 -18.5203 -18.4020 -18.4013 -18.1819 -18.1785 -18.0619 -18.0600 -17.8224 -17.8212 -17.7545 -17.7541 -17.6468 -17.6459 -17.5783 -17.5780 -6.8100 -6.8096 -6.6765 -6.6760 2.5227 2.5231 2.9797 2.9803 3.8308 3.8310 4.2757 4.2758 4.3985 4.3985 4.9466 4.9466 7.1299 7.1301 7.7649 7.7653 11.2317 11.2328 11.7607 11.7617 11.9204 11.9204 k = 0.0000 0.4783 0.2511 ( 10666 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7048 -18.7047 -18.5203 -18.5201 -18.4020 -18.4014 -18.1814 -18.1788 -18.0618 -18.0602 -17.8223 -17.8213 -17.7545 -17.7542 -17.6466 -17.6460 -17.5786 -17.5783 -6.8004 -6.7999 -6.6863 -6.6859 2.5505 2.5509 2.9421 2.9426 3.8602 3.8604 4.2428 4.2429 4.3982 4.3982 4.9469 4.9469 7.2023 7.2026 7.7047 7.7050 11.2852 11.2863 11.7630 11.7641 11.9661 11.9661 k = 0.0000 0.4783 0.2626 ( 10665 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7048 -18.7047 -18.5202 -18.5200 -18.4019 -18.4015 -18.1809 -18.1791 -18.0616 -18.0605 -17.8221 -17.8215 -17.7545 -17.7543 -17.6465 -17.6460 -17.5787 -17.5786 -6.7919 -6.7915 -6.6949 -6.6945 2.5751 2.5754 2.9104 2.9108 3.8859 3.8860 4.2147 4.2147 4.3979 4.3979 4.9471 4.9471 7.2704 7.2707 7.6456 7.6459 11.3320 11.3328 11.7574 11.7583 12.0083 12.0083 k = 0.0000 0.4784 0.2741 ( 10680 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7047 -18.7047 -18.5201 -18.5200 -18.4018 -18.4016 -18.1805 -18.1795 -18.0614 -18.0608 -17.8220 -17.8217 -17.7544 -17.7543 -17.6463 -17.6461 -17.5788 -17.5787 -6.7855 -6.7853 -6.7012 -6.7010 2.5935 2.5937 2.8875 2.8877 3.9048 3.9049 4.1940 4.1941 4.3978 4.3978 4.9472 4.9472 7.3291 7.3293 7.5928 7.5930 11.3661 11.3667 11.7493 11.7499 12.0420 12.0420 k = 0.0000 0.4785 0.2857 ( 10676 PWs) bands (ev): -46.3825 -46.3825 -46.0680 -46.0680 -45.6991 -45.6991 -39.8111 -39.8111 -39.7320 -39.7320 -39.6183 -39.6183 -18.7047 -18.7047 -18.5200 -18.5200 -18.4018 -18.4017 -18.1801 -18.1798 -18.0612 -18.0610 -17.8219 -17.8218 -17.7544 -17.7544 -17.6462 -17.6462 -17.5788 -17.5788 -6.7825 -6.7824 -6.7041 -6.7040 2.6022 2.6023 2.8770 2.8770 3.9138 3.9138 4.1845 4.1845 4.3977 4.3977 4.9472 4.9472 7.3630 7.3631 7.5614 7.5614 11.3810 11.3810 11.7462 11.7463 12.0591 12.0591 k = 0.5000 0.4753 0.2908 ( 10674 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7038 -18.7038 -18.6708 -18.6708 -18.4346 -18.4344 -18.1680 -18.1680 -17.9256 -17.9253 -17.8362 -17.8361 -17.7984 -17.7982 -17.6874 -17.6874 -17.5547 -17.5547 -6.6064 -6.6064 -6.4674 -6.4674 3.3900 3.3900 3.4280 3.4280 3.7139 3.7140 3.8219 3.8219 4.4921 4.4921 4.8247 4.8247 5.6056 5.6056 6.1623 6.1623 10.3447 10.3447 10.7901 10.7901 11.5429 11.5429 k = 0.5000 0.4638 0.2908 ( 10678 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8121 -39.8121 -39.7315 -39.7315 -39.6177 -39.6177 -18.7039 -18.7037 -18.6708 -18.6708 -18.4346 -18.4343 -18.1681 -18.1678 -17.9257 -17.9251 -17.8362 -17.8361 -17.7985 -17.7981 -17.6874 -17.6874 -17.5547 -17.5546 -6.6062 -6.6062 -6.4672 -6.4672 3.3868 3.3868 3.4244 3.4244 3.7140 3.7141 3.8218 3.8218 4.4913 4.4914 4.8239 4.8239 5.6116 5.6117 6.1674 6.1674 10.3401 10.3402 10.7843 10.7844 11.5444 11.5444 k = 0.5000 0.4522 0.2908 ( 10680 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7039 -18.7037 -18.6709 -18.6707 -18.4346 -18.4342 -18.1681 -18.1677 -17.9258 -17.9250 -17.8362 -17.8361 -17.7986 -17.7980 -17.6874 -17.6873 -17.5548 -17.5546 -6.6057 -6.6057 -6.4666 -6.4666 3.3786 3.3786 3.4151 3.4151 3.7141 3.7144 3.8214 3.8214 4.4892 4.4894 4.8220 4.8221 5.6269 5.6271 6.1805 6.1805 10.3283 10.3286 10.7687 10.7687 11.5493 11.5493 k = 0.5000 0.4406 0.2908 ( 10690 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7039 -18.7036 -18.6709 -18.6706 -18.4346 -18.4340 -18.1681 -18.1675 -17.9259 -17.9248 -17.8362 -17.8361 -17.7986 -17.7978 -17.6874 -17.6873 -17.5548 -17.5545 -6.6048 -6.6048 -6.4657 -6.4657 3.3656 3.3656 3.4003 3.4005 3.7144 3.7148 3.8208 3.8209 4.4860 4.4863 4.8190 4.8191 5.6513 5.6516 6.2013 6.2013 10.3097 10.3100 10.7434 10.7435 11.5578 11.5578 k = 0.5000 0.4290 0.2908 ( 10682 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7039 -18.7035 -18.6709 -18.6706 -18.4345 -18.4338 -18.1681 -18.1673 -17.9260 -17.9246 -17.8362 -17.8361 -17.7987 -17.7977 -17.6874 -17.6872 -17.5548 -17.5545 -6.6036 -6.6036 -6.4645 -6.4645 3.3480 3.3480 3.3807 3.3808 3.7148 3.7153 3.8201 3.8201 4.4816 4.4820 4.8149 4.8150 5.6844 5.6848 6.2296 6.2297 10.2845 10.2848 10.7091 10.7091 11.5703 11.5703 k = 0.5000 0.4174 0.2908 ( 10680 PWs) bands (ev): -46.3139 -46.3139 -46.1359 -46.1359 -45.6969 -45.6969 -39.8122 -39.8122 -39.7315 -39.7315 -39.6177 -39.6177 -18.7039 -18.7034 -18.6708 -18.6705 -18.4344 -18.4336 -18.1680 -18.1671 -17.9261 -17.9244 -17.8362 -17.8361 -17.7988 -17.7976 -17.6874 -17.6872 -17.5548 -17.5544 -6.6020 -6.6020 -6.4629 -6.4629 3.3262 3.3262 3.3565 3.3567 3.7153 3.7158 3.8193 3.8193 4.4762 4.4766 4.8098 4.8099 5.7257 5.7262 6.2651 6.2651 10.2531 10.2535 10.6663 10.6663 11.5869 11.5869 k = 0.5000 0.4058 0.2908 ( 10686 PWs) bands (ev): -46.3139 -46.3139 -46.1360 -46.1360 -45.6969 -45.6969 -39.8123 -39.8123 -39.7314 -39.7314 -39.6178 -39.6178 -18.7039 -18.7033 -18.6708 -18.6704 -18.4343 -18.4333 -18.1679 -18.1668 -17.9261 -17.9242 -17.8362 -17.8361 -17.7988 -17.7975 -17.6874 -17.6871 -17.5548 -17.5543 -6.6002 -6.6002 -6.4610 -6.4610 3.3005 3.3005 3.3283 3.3286 3.7158 3.7164 3.8182 3.8182 4.4697 4.4702 4.8037 4.8038 5.7745 5.7751 6.3071 6.3072 10.2161 10.2166 10.6160 10.6160 11.6080 11.6080 k = 0.5000 0.3942 0.2908 ( 10682 PWs) bands (ev): -46.3139 -46.3139 -46.1360 -46.1360 -45.6969 -45.6969 -39.8123 -39.8123 -39.7314 -39.7314 -39.6178 -39.6178 -18.7038 -18.7032 -18.6708 -18.6703 -18.4341 -18.4330 -18.1678 -18.1665 -17.9262 -17.9240 -17.8362 -17.8361 -17.7989 -17.7973 -17.6873 -17.6870 -17.5548 -17.5542 -6.5980 -6.5980 -6.4588 -6.4588 3.2714 3.2714 3.2968 3.2972 3.7163 3.7170 3.8171 3.8171 4.4624 4.4630 4.7966 4.7967 5.8303 5.8309 6.3554 6.3554 10.1740 10.1746 10.5591 10.5591 11.6336 11.6336 k = 0.5000 0.3826 0.2908 ( 10684 PWs) bands (ev): -46.3139 -46.3139 -46.1360 -46.1360 -45.6970 -45.6970 -39.8123 -39.8123 -39.7314 -39.7314 -39.6178 -39.6178 -18.7038 -18.7031 -18.6707 -18.6702 -18.4339 -18.4326 -18.1676 -18.1662 -17.9262 -17.9238 -17.8362 -17.8361 -17.7989 -17.7972 -17.6872 -17.6869 -17.5548 -17.5542 -6.5956 -6.5956 -6.4563 -6.4563 3.2392 3.2392 3.2625 3.2629 3.7169 3.7177 3.8158 3.8158 4.4542 4.4548 4.7887 4.7889 5.8925 5.8931 6.4093 6.4093 10.1274 10.1280 10.4966 10.4966 11.6637 11.6637 k = 0.5000 0.3710 0.2908 ( 10678 PWs) bands (ev): -46.3140 -46.3140 -46.1360 -46.1360 -45.6970 -45.6970 -39.8124 -39.8124 -39.7314 -39.7314 -39.6178 -39.6178 -18.7038 -18.7030 -18.6707 -18.6701 -18.4336 -18.4323 -18.1675 -18.1659 -17.9262 -17.9236 -17.8363 -17.8361 -17.7990 -17.7970 -17.6872 -17.6868 -17.5548 -17.5541 -6.5928 -6.5928 -6.4536 -6.4535 3.2045 3.2045 3.2258 3.2263 3.7175 3.7183 3.8144 3.8144 4.4452 4.4460 4.7800 4.7802 5.9604 5.9611 6.4684 6.4684 10.0769 10.0775 10.4295 10.4295 11.6982 11.6983 k = 0.5000 0.3594 0.2908 ( 10674 PWs) bands (ev): -46.3140 -46.3140 -46.1360 -46.1360 -45.6970 -45.6970 -39.8125 -39.8125 -39.7314 -39.7314 -39.6178 -39.6178 -18.7037 -18.7029 -18.6706 -18.6700 -18.4333 -18.4319 -18.1672 -18.1656 -17.9262 -17.9234 -17.8363 -17.8360 -17.7990 -17.7969 -17.6871 -17.6867 -17.5548 -17.5540 -6.5898 -6.5898 -6.4505 -6.4505 3.1677 3.1677 3.1874 3.1879 3.7182 3.7190 3.8129 3.8129 4.4356 4.4364 4.7706 4.7708 6.0335 6.0343 6.5321 6.5321 10.0231 10.0237 10.3587 10.3587 11.7370 11.7371 k = 0.5000 0.3478 0.2908 ( 10670 PWs) bands (ev): -46.3140 -46.3140 -46.1360 -46.1360 -45.6970 -45.6970 -39.8125 -39.8125 -39.7313 -39.7313 -39.6178 -39.6178 -18.7036 -18.7028 -18.6706 -18.6698 -18.4330 -18.4314 -18.1670 -18.1652 -17.9261 -17.9231 -17.8363 -17.8360 -17.7990 -17.7968 -17.6870 -17.6866 -17.5547 -17.5539 -6.5866 -6.5866 -6.4472 -6.4472 3.1291 3.1291 3.1476 3.1482 3.7188 3.7197 3.8113 3.8114 4.4253 4.4261 4.7605 4.7607 6.1114 6.1122 6.5999 6.5999 9.9664 9.9671 10.2851 10.2851 11.7799 11.7801 k = 0.5000 0.3362 0.2908 ( 10666 PWs) bands (ev): -46.3140 -46.3140 -46.1360 -46.1360 -45.6970 -45.6970 -39.8126 -39.8126 -39.7313 -39.7313 -39.6179 -39.6179 -18.7036 -18.7026 -18.6705 -18.6697 -18.4326 -18.4310 -18.1667 -18.1648 -17.9261 -17.9229 -17.8363 -17.8360 -17.7990 -17.7966 -17.6869 -17.6865 -17.5547 -17.5538 -6.5831 -6.5831 -6.4437 -6.4437 3.0892 3.0893 3.1069 3.1075 3.7195 3.7204 3.8097 3.8097 4.4145 4.4154 4.7499 4.7501 6.1935 6.1943 6.6713 6.6714 9.9076 9.9083 10.2095 10.2095 11.8268 11.8270 k = 0.5000 0.3246 0.2908 ( 10668 PWs) bands (ev): -46.3140 -46.3140 -46.1360 -46.1360 -45.6970 -45.6970 -39.8126 -39.8126 -39.7313 -39.7313 -39.6179 -39.6179 -18.7035 -18.7025 -18.6704 -18.6696 -18.4323 -18.4305 -18.1664 -18.1644 -17.9260 -17.9227 -17.8363 -17.8360 -17.7990 -17.7965 -17.6868 -17.6864 -17.5546 -17.5537 -6.5795 -6.5794 -6.4399 -6.4399 3.0484 3.0484 3.0657 3.0663 3.7203 3.7212 3.8079 3.8080 4.4031 4.4041 4.7388 4.7390 6.2794 6.2803 6.7459 6.7460 9.8471 9.8477 10.1324 10.1325 11.8774 11.8776 k = 0.5000 0.3130 0.2908 ( 10662 PWs) bands (ev): -46.3140 -46.3140 -46.1361 -46.1361 -45.6970 -45.6970 -39.8127 -39.8127 -39.7312 -39.7312 -39.6179 -39.6179 -18.7034 -18.7024 -18.6703 -18.6694 -18.4318 -18.4300 -18.1661 -18.1640 -17.9260 -17.9225 -17.8363 -17.8360 -17.7990 -17.7964 -17.6867 -17.6862 -17.5546 -17.5536 -6.5756 -6.5756 -6.4360 -6.4360 3.0069 3.0070 3.0242 3.0248 3.7210 3.7220 3.8062 3.8063 4.3914 4.3924 4.7272 4.7274 6.3687 6.3696 6.8232 6.8233 9.7853 9.7859 10.0546 10.0547 11.9314 11.9317 k = 0.5000 0.3014 0.2908 ( 10656 PWs) bands (ev): -46.3141 -46.3141 -46.1361 -46.1361 -45.6970 -45.6970 -39.8128 -39.8128 -39.7312 -39.7312 -39.6179 -39.6179 -18.7033 -18.7023 -18.6702 -18.6693 -18.4314 -18.4295 -18.1658 -18.1636 -17.9259 -17.9223 -17.8363 -17.8360 -17.7989 -17.7962 -17.6866 -17.6861 -17.5545 -17.5535 -6.5715 -6.5715 -6.4319 -6.4318 2.9652 2.9652 2.9828 2.9834 3.7218 3.7228 3.8043 3.8045 4.3792 4.3803 4.7153 4.7155 6.4611 6.4620 6.9028 6.9029 9.7227 9.7234 9.9766 9.9766 11.9887 11.9890 k = 0.5000 0.2898 0.2908 ( 10652 PWs) bands (ev): -46.3141 -46.3141 -46.1361 -46.1361 -45.6971 -45.6971 -39.8129 -39.8129 -39.7312 -39.7312 -39.6179 -39.6179 -18.7032 -18.7021 -18.6701 -18.6692 -18.4309 -18.4290 -18.1654 -18.1631 -17.9258 -17.9221 -17.8363 -17.8360 -17.7989 -17.7961 -17.6864 -17.6860 -17.5545 -17.5534 -6.5674 -6.5674 -6.4276 -6.4276 2.9234 2.9234 2.9416 2.9423 3.7227 3.7237 3.8025 3.8026 4.3668 4.3679 4.7031 4.7034 6.5561 6.5570 6.9843 6.9844 9.6597 9.6604 9.8988 9.8988 12.0490 12.0493 k = 0.5000 0.2783 0.2908 ( 10648 PWs) bands (ev): -46.3141 -46.3141 -46.1361 -46.1361 -45.6971 -45.6971 -39.8129 -39.8129 -39.7311 -39.7311 -39.6180 -39.6180 -18.7031 -18.7020 -18.6700 -18.6690 -18.4305 -18.4285 -18.1651 -18.1627 -17.9257 -17.9219 -17.8363 -17.8360 -17.7988 -17.7960 -17.6863 -17.6858 -17.5544 -17.5533 -6.5631 -6.5631 -6.4232 -6.4232 2.8818 2.8818 2.9010 2.9017 3.7236 3.7246 3.8007 3.8008 4.3542 4.3554 4.6907 4.6910 6.6535 6.6544 7.0672 7.0673 9.5968 9.5974 9.8216 9.8217 12.1120 12.1123 k = 0.5000 0.2667 0.2908 ( 10646 PWs) bands (ev): -46.3141 -46.3141 -46.1361 -46.1361 -45.6971 -45.6971 -39.8130 -39.8130 -39.7311 -39.7311 -39.6180 -39.6180 -18.7030 -18.7019 -18.6698 -18.6689 -18.4300 -18.4280 -18.1647 -18.1623 -17.9256 -17.9217 -17.8363 -17.8360 -17.7988 -17.7959 -17.6862 -17.6857 -17.5543 -17.5532 -6.5587 -6.5587 -6.4187 -6.4187 2.8406 2.8406 2.8611 2.8618 3.7245 3.7256 3.7988 3.7990 4.3415 4.3426 4.6782 4.6785 6.7529 6.7538 7.1512 7.1513 9.5342 9.5348 9.7455 9.7455 12.1774 12.1778 k = 0.5000 0.2551 0.2908 ( 10652 PWs) bands (ev): -46.3141 -46.3141 -46.1361 -46.1361 -45.6971 -45.6971 -39.8131 -39.8131 -39.7311 -39.7311 -39.6180 -39.6180 -18.7028 -18.7017 -18.6697 -18.6688 -18.4295 -18.4274 -18.1643 -18.1618 -17.9254 -17.9215 -17.8363 -17.8360 -17.7987 -17.7958 -17.6860 -17.6856 -17.5542 -17.5531 -6.5542 -6.5542 -6.4142 -6.4142 2.8001 2.8001 2.8221 2.8227 3.7255 3.7266 3.7970 3.7971 4.3286 4.3298 4.6656 4.6659 6.8541 6.8550 7.2359 7.2359 9.4723 9.4729 9.6707 9.6708 12.2450 12.2454 k = 0.5000 0.2435 0.2908 ( 10656 PWs) bands (ev): -46.3142 -46.3142 -46.1362 -46.1362 -45.6971 -45.6971 -39.8132 -39.8132 -39.7310 -39.7310 -39.6181 -39.6181 -18.7027 -18.7016 -18.6696 -18.6686 -18.4289 -18.4269 -18.1638 -18.1614 -17.9253 -17.9213 -17.8363 -17.8360 -17.7986 -17.7957 -17.6859 -17.6854 -17.5542 -17.5530 -6.5497 -6.5497 -6.4096 -6.4096 2.7605 2.7605 2.7841 2.7847 3.7266 3.7277 3.7951 3.7953 4.3158 4.3170 4.6531 4.6534 6.9567 6.9575 7.3208 7.3209 9.4115 9.4121 9.5976 9.5977 12.3144 12.3149 k = 0.5000 0.2319 0.2908 ( 10658 PWs) bands (ev): -46.3142 -46.3142 -46.1362 -46.1362 -45.6971 -45.6971 -39.8133 -39.8133 -39.7310 -39.7310 -39.6181 -39.6181 -18.7026 -18.7015 -18.6695 -18.6685 -18.4284 -18.4264 -18.1634 -18.1610 -17.9251 -17.9212 -17.8362 -17.8360 -17.7985 -17.7956 -17.6857 -17.6853 -17.5541 -17.5529 -6.5452 -6.5452 -6.4050 -6.4050 2.7218 2.7218 2.7473 2.7479 3.7277 3.7288 3.7934 3.7935 4.3030 4.3042 4.6406 4.6409 7.0603 7.0612 7.4057 7.4057 9.3519 9.3525 9.5265 9.5265 12.3854 12.3858 k = 0.5000 0.2203 0.2908 ( 10662 PWs) bands (ev): -46.3142 -46.3142 -46.1362 -46.1362 -45.6971 -45.6971 -39.8133 -39.8133 -39.7310 -39.7310 -39.6181 -39.6181 -18.7025 -18.7014 -18.6694 -18.6684 -18.4279 -18.4258 -18.1630 -18.1606 -17.9250 -17.9210 -17.8362 -17.8360 -17.7984 -17.7955 -17.6856 -17.6851 -17.5540 -17.5528 -6.5407 -6.5406 -6.4004 -6.4003 2.6843 2.6843 2.7117 2.7123 3.7288 3.7299 3.7916 3.7918 4.2903 4.2916 4.6283 4.6286 7.1647 7.1656 7.4901 7.4901 9.2939 9.2944 9.4575 9.4575 12.4575 12.4580 k = 0.5000 0.2087 0.2908 ( 10656 PWs) bands (ev): -46.3142 -46.3142 -46.1362 -46.1362 -45.6972 -45.6972 -39.8134 -39.8134 -39.7309 -39.7309 -39.6181 -39.6181 -18.7023 -18.7013 -18.6692 -18.6683 -18.4273 -18.4253 -18.1625 -18.1601 -17.9248 -17.9209 -17.8362 -17.8360 -17.7983 -17.7954 -17.6854 -17.6850 -17.5539 -17.5527 -6.5362 -6.5361 -6.3958 -6.3958 2.6480 2.6480 2.6775 2.6781 3.7300 3.7312 3.7900 3.7901 4.2778 4.2791 4.6162 4.6166 7.2695 7.2704 7.5736 7.5737 9.2377 9.2382 9.3910 9.3910 12.5304 12.5309 k = 0.5000 0.1971 0.2908 ( 10656 PWs) bands (ev): -46.3142 -46.3142 -46.1362 -46.1362 -45.6972 -45.6972 -39.8135 -39.8135 -39.7309 -39.7309 -39.6182 -39.6182 -18.7022 -18.7012 -18.6691 -18.6682 -18.4268 -18.4248 -18.1621 -18.1598 -17.9246 -17.9208 -17.8362 -17.8360 -17.7982 -17.7953 -17.6853 -17.6848 -17.5538 -17.5527 -6.5317 -6.5317 -6.3913 -6.3913 2.6132 2.6132 2.6448 2.6454 3.7313 3.7324 3.7883 3.7885 4.2656 4.2669 4.6044 4.6048 7.3744 7.3752 7.6559 7.6559 9.1836 9.1841 9.3270 9.3270 12.6037 12.6042 k = 0.5000 0.1855 0.2908 ( 10670 PWs) bands (ev): -46.3143 -46.3143 -46.1362 -46.1362 -45.6972 -45.6972 -39.8136 -39.8136 -39.7308 -39.7308 -39.6182 -39.6182 -18.7021 -18.7011 -18.6690 -18.6681 -18.4262 -18.4243 -18.1617 -18.1594 -17.9244 -17.9207 -17.8362 -17.8360 -17.7981 -17.7953 -17.6851 -17.6847 -17.5537 -17.5526 -6.5274 -6.5274 -6.3869 -6.3868 2.5799 2.5799 2.6137 2.6142 3.7325 3.7337 3.7868 3.7870 4.2536 4.2549 4.5930 4.5933 7.4788 7.4796 7.7365 7.7365 9.1318 9.1323 9.2660 9.2660 12.6770 12.6775 k = 0.5000 0.1739 0.2908 ( 10676 PWs) bands (ev): -46.3143 -46.3143 -46.1363 -46.1363 -45.6972 -45.6972 -39.8137 -39.8137 -39.7308 -39.7308 -39.6182 -39.6182 -18.7020 -18.7010 -18.6688 -18.6680 -18.4257 -18.4239 -18.1612 -18.1590 -17.9243 -17.9206 -17.8362 -17.8360 -17.7979 -17.7952 -17.6850 -17.6846 -17.5536 -17.5525 -6.5232 -6.5232 -6.3825 -6.3825 2.5482 2.5482 2.5841 2.5846 3.7338 3.7349 3.7853 3.7855 4.2421 4.2434 4.5819 4.5823 7.5824 7.5832 7.8150 7.8151 9.0826 9.0830 9.2079 9.2079 12.7498 12.7503 k = 0.5000 0.1623 0.2908 ( 10676 PWs) bands (ev): -46.3143 -46.3143 -46.1363 -46.1363 -45.6972 -45.6972 -39.8137 -39.8137 -39.7308 -39.7308 -39.6183 -39.6183 -18.7018 -18.7009 -18.6687 -18.6679 -18.4252 -18.4234 -18.1608 -18.1587 -17.9241 -17.9206 -17.8362 -17.8360 -17.7978 -17.7952 -17.6848 -17.6845 -17.5535 -17.5525 -6.5191 -6.5191 -6.3784 -6.3784 2.5181 2.5181 2.5562 2.5567 3.7352 3.7362 3.7839 3.7841 4.2310 4.2322 4.5713 4.5717 7.6846 7.6854 7.8911 7.8911 9.0361 9.0365 9.1531 9.1531 12.8216 12.8222 k = 0.5000 0.1507 0.2908 ( 10676 PWs) bands (ev): -46.3143 -46.3143 -46.1363 -46.1363 -45.6972 -45.6972 -39.8138 -39.8138 -39.7308 -39.7308 -39.6183 -39.6183 -18.7017 -18.7008 -18.6686 -18.6678 -18.4247 -18.4230 -18.1604 -18.1583 -17.9239 -17.9205 -17.8362 -17.8360 -17.7976 -17.7951 -17.6847 -17.6843 -17.5534 -17.5524 -6.5152 -6.5151 -6.3744 -6.3744 2.4899 2.4899 2.5300 2.5305 3.7365 3.7375 3.7826 3.7828 4.2203 4.2216 4.5613 4.5616 7.7848 7.7855 7.9642 7.9642 8.9926 8.9930 9.1016 9.1016 12.8920 12.8926 k = 0.5000 0.1391 0.2908 ( 10684 PWs) bands (ev): -46.3143 -46.3143 -46.1363 -46.1363 -45.6972 -45.6972 -39.8139 -39.8139 -39.7307 -39.7307 -39.6183 -39.6183 -18.7016 -18.7007 -18.6685 -18.6677 -18.4242 -18.4226 -18.1600 -18.1580 -17.9237 -17.9205 -17.8362 -17.8360 -17.7975 -17.7951 -17.6845 -17.6842 -17.5533 -17.5524 -6.5114 -6.5114 -6.3706 -6.3705 2.4635 2.4635 2.5057 2.5061 3.7378 3.7388 3.7814 3.7816 4.2102 4.2114 4.5517 4.5520 7.8823 7.8830 8.0339 8.0339 8.9525 8.9528 9.0537 9.0537 12.9378 12.9383 k = 0.5000 0.1275 0.2908 ( 10688 PWs) bands (ev): -46.3144 -46.3144 -46.1363 -46.1363 -45.6973 -45.6973 -39.8139 -39.8139 -39.7307 -39.7307 -39.6183 -39.6183 -18.7015 -18.7007 -18.6684 -18.6676 -18.4237 -18.4222 -18.1596 -18.1578 -17.9235 -17.9205 -17.8362 -17.8361 -17.7973 -17.7951 -17.6844 -17.6841 -17.5532 -17.5523 -6.5079 -6.5079 -6.3670 -6.3669 2.4390 2.4390 2.4831 2.4835 3.7391 3.7401 3.7803 3.7805 4.2007 4.2019 4.5428 4.5431 7.9764 7.9771 8.0998 8.0998 8.9158 8.9161 9.0095 9.0095 12.9047 12.9049 k = 0.5000 0.1159 0.2908 ( 10686 PWs) bands (ev): -46.3144 -46.3144 -46.1363 -46.1363 -45.6973 -45.6973 -39.8140 -39.8140 -39.7307 -39.7307 -39.6184 -39.6184 -18.7014 -18.7006 -18.6682 -18.6676 -18.4233 -18.4219 -18.1592 -18.1575 -17.9233 -17.9205 -17.8362 -17.8361 -17.7972 -17.7951 -17.6843 -17.6840 -17.5531 -17.5523 -6.5046 -6.5046 -6.3636 -6.3636 2.4164 2.4164 2.4624 2.4627 3.7404 3.7413 3.7793 3.7795 4.1918 4.1929 4.5345 4.5347 8.0661 8.0667 8.1614 8.1614 8.8831 8.8834 8.9691 8.9691 12.8321 12.8322 k = 0.5000 0.1043 0.2908 ( 10688 PWs) bands (ev): -46.3144 -46.3144 -46.1364 -46.1364 -45.6973 -45.6973 -39.8140 -39.8140 -39.7307 -39.7307 -39.6184 -39.6184 -18.7013 -18.7006 -18.6681 -18.6675 -18.4229 -18.4216 -18.1589 -18.1573 -17.9231 -17.9206 -17.8361 -17.8361 -17.7970 -17.7951 -17.6842 -17.6839 -17.5530 -17.5523 -6.5015 -6.5015 -6.3605 -6.3605 2.3959 2.3959 2.4435 2.4439 3.7416 3.7425 3.7784 3.7786 4.1837 4.1847 4.5269 4.5271 8.1503 8.1509 8.2182 8.2182 8.8546 8.8549 8.9328 8.9328 12.7483 12.7484 k = 0.5000 0.0928 0.2908 ( 10686 PWs) bands (ev): -46.3144 -46.3144 -46.1364 -46.1364 -45.6973 -45.6973 -39.8141 -39.8141 -39.7306 -39.7306 -39.6184 -39.6184 -18.7012 -18.7005 -18.6680 -18.6675 -18.4225 -18.4213 -18.1585 -18.1571 -17.9229 -17.9206 -17.8361 -17.8361 -17.7969 -17.7952 -17.6840 -17.6838 -17.5529 -17.5523 -6.4988 -6.4987 -6.3576 -6.3576 2.3774 2.3774 2.4266 2.4269 3.7428 3.7436 3.7776 3.7777 4.1762 4.1772 4.5200 4.5202 8.2278 8.2283 8.2698 8.2698 8.8309 8.8311 8.9005 8.9006 12.6645 12.6645 k = 0.5000 0.0812 0.2908 ( 10686 PWs) bands (ev): -46.3144 -46.3144 -46.1364 -46.1364 -45.6973 -45.6973 -39.8141 -39.8141 -39.7306 -39.7306 -39.6184 -39.6184 -18.7011 -18.7005 -18.6679 -18.6675 -18.4221 -18.4211 -18.1582 -18.1570 -17.9227 -17.9207 -17.8361 -17.8361 -17.7967 -17.7952 -17.6839 -17.6838 -17.5529 -17.5522 -6.4963 -6.4963 -6.3551 -6.3551 2.3610 2.3610 2.4116 2.4119 3.7439 3.7446 3.7769 3.7770 4.1696 4.1704 4.5138 4.5140 8.2971 8.2976 8.3158 8.3158 8.8124 8.8126 8.8726 8.8726 12.5848 12.5848 k = 0.5000 0.0696 0.2908 ( 10684 PWs) bands (ev): -46.3144 -46.3144 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6184 -39.6184 -18.7010 -18.7005 -18.6679 -18.6674 -18.4218 -18.4209 -18.1579 -18.1568 -17.9225 -17.9207 -17.8361 -17.8361 -17.7966 -17.7953 -17.6839 -17.6837 -17.5528 -17.5522 -6.4941 -6.4941 -6.3529 -6.3528 2.3468 2.3468 2.3986 2.3988 3.7449 3.7455 3.7763 3.7764 4.1637 4.1645 4.5084 4.5086 8.3557 8.3557 8.3570 8.3574 8.7997 8.7999 8.8489 8.8490 12.5116 12.5116 k = 0.5000 0.0580 0.2908 ( 10684 PWs) bands (ev): -46.3144 -46.3144 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6184 -39.6184 -18.7009 -18.7005 -18.6678 -18.6674 -18.4215 -18.4207 -18.1577 -18.1567 -17.9223 -17.9208 -17.8361 -17.8361 -17.7964 -17.7953 -17.6838 -17.6836 -17.5527 -17.5523 -6.4922 -6.4922 -6.3509 -6.3509 2.3346 2.3346 2.3876 2.3878 3.7457 3.7463 3.7757 3.7758 4.1587 4.1594 4.5038 4.5039 8.3894 8.3895 8.4058 8.4062 8.7930 8.7932 8.8296 8.8297 12.4466 12.4466 k = 0.5000 0.0464 0.2908 ( 10682 PWs) bands (ev): -46.3144 -46.3144 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6184 -39.6184 -18.7008 -18.7005 -18.6677 -18.6674 -18.4212 -18.4206 -18.1574 -18.1567 -17.9221 -17.9209 -17.8361 -17.8361 -17.7963 -17.7954 -17.6837 -17.6836 -17.5526 -17.5523 -6.4906 -6.4906 -6.3493 -6.3493 2.3247 2.3247 2.3785 2.3787 3.7465 3.7470 3.7753 3.7754 4.1546 4.1551 4.5000 4.5001 8.4167 8.4167 8.4433 8.4435 8.7920 8.7921 8.8145 8.8145 12.3912 12.3913 k = 0.5000 0.0348 0.2908 ( 10690 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7007 -18.7005 -18.6676 -18.6674 -18.4210 -18.4205 -18.1572 -18.1567 -17.9220 -17.9210 -17.8361 -17.8361 -17.7962 -17.7955 -17.6836 -17.6836 -17.5526 -17.5523 -6.4894 -6.4894 -6.3481 -6.3481 2.3169 2.3169 2.3715 2.3716 3.7471 3.7475 3.7750 3.7751 4.1514 4.1518 4.4970 4.4971 8.4375 8.4376 8.4697 8.4699 8.7951 8.7952 8.8034 8.8034 12.3467 12.3467 k = 0.5000 0.0232 0.2908 ( 10694 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7007 -18.7005 -18.6676 -18.6674 -18.4208 -18.4205 -18.1570 -18.1567 -17.9218 -17.9212 -17.8361 -17.8361 -17.7960 -17.7956 -17.6836 -17.6836 -17.5525 -17.5523 -6.4885 -6.4885 -6.3472 -6.3472 2.3114 2.3114 2.3664 2.3665 3.7476 3.7478 3.7748 3.7748 4.1491 4.1494 4.4949 4.4950 8.4521 8.4522 8.4865 8.4866 8.7958 8.7958 8.8001 8.8001 12.3141 12.3141 k = 0.5000 0.0116 0.2908 ( 10692 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7006 -18.7005 -18.6675 -18.6675 -18.4207 -18.4205 -18.1569 -18.1567 -17.9216 -17.9213 -17.8361 -17.8361 -17.7959 -17.7957 -17.6836 -17.6835 -17.5524 -17.5524 -6.4880 -6.4880 -6.3467 -6.3467 2.3081 2.3081 2.3634 2.3635 3.7479 3.7480 3.7746 3.7747 4.1477 4.1479 4.4937 4.4937 8.4607 8.4607 8.4957 8.4957 8.7915 8.7915 8.8043 8.8044 12.2942 12.2942 k = 0.5000-0.0000 0.2908 ( 10692 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7006 -18.7006 -18.6675 -18.6675 -18.4206 -18.4206 -18.1568 -18.1568 -17.9215 -17.9215 -17.8361 -17.8361 -17.7958 -17.7958 -17.6836 -17.6836 -17.5524 -17.5524 -6.4878 -6.4878 -6.3465 -6.3465 2.3069 2.3069 2.3624 2.3624 3.7480 3.7480 3.7746 3.7746 4.1473 4.1473 4.4932 4.4932 8.4636 8.4636 8.4985 8.4985 8.7901 8.7901 8.8060 8.8060 12.2875 12.2875 k = 0.5000-0.0000 0.2908 ( 10692 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7006 -18.7006 -18.6675 -18.6675 -18.4206 -18.4206 -18.1568 -18.1568 -17.9215 -17.9215 -17.8361 -17.8361 -17.7958 -17.7958 -17.6836 -17.6836 -17.5524 -17.5524 -6.4878 -6.4878 -6.3465 -6.3465 2.3069 2.3069 2.3624 2.3624 3.7480 3.7480 3.7746 3.7746 4.1473 4.1473 4.4932 4.4932 8.4636 8.4636 8.4985 8.4985 8.7901 8.7901 8.8060 8.8060 12.2875 12.2875 k = 0.5000-0.0000 0.2792 ( 10688 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7007 -18.7005 -18.6675 -18.6675 -18.4208 -18.4203 -18.1568 -18.1568 -17.9220 -17.9209 -17.8362 -17.8360 -17.7961 -17.7954 -17.6836 -17.6835 -17.5524 -17.5524 -6.4879 -6.4879 -6.3465 -6.3465 2.3083 2.3083 2.3631 2.3631 3.7480 3.7480 3.7746 3.7746 4.1459 4.1459 4.4907 4.4907 8.4599 8.4601 8.4935 8.4935 8.7964 8.7966 8.8134 8.8134 12.2881 12.2881 k = 0.5000-0.0000 0.2676 ( 10694 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7009 -18.7004 -18.6676 -18.6676 -18.4210 -18.4201 -18.1568 -18.1568 -17.9224 -17.9202 -17.8362 -17.8360 -17.7964 -17.7950 -17.6835 -17.6835 -17.5525 -17.5525 -6.4880 -6.4880 -6.3464 -6.3464 2.3123 2.3123 2.3651 2.3652 3.7480 3.7480 3.7746 3.7746 4.1415 4.1415 4.4832 4.4832 8.4500 8.4502 8.4796 8.4797 8.8147 8.8150 8.8344 8.8344 12.2899 12.2899 k = 0.5000-0.0000 0.2559 ( 10700 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7010 -18.7004 -18.6676 -18.6676 -18.4213 -18.4198 -18.1568 -18.1568 -17.9227 -17.9195 -17.8364 -17.8360 -17.7966 -17.7946 -17.6835 -17.6835 -17.5527 -17.5527 -6.4882 -6.4882 -6.3464 -6.3464 2.3189 2.3189 2.3685 2.3685 3.7479 3.7480 3.7745 3.7746 4.1343 4.1343 4.4707 4.4708 8.4355 8.4358 8.4599 8.4601 8.8430 8.8433 8.8659 8.8660 12.2927 12.2928 k = 0.5000-0.0000 0.2443 ( 10700 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7012 -18.7004 -18.6678 -18.6677 -18.4214 -18.4195 -18.1568 -18.1568 -17.9229 -17.9187 -17.8365 -17.8360 -17.7967 -17.7941 -17.6835 -17.6834 -17.5529 -17.5529 -6.4886 -6.4886 -6.3463 -6.3463 2.3281 2.3281 2.3732 2.3732 3.7477 3.7479 3.7745 3.7746 4.1243 4.1243 4.4534 4.4535 8.4185 8.4189 8.4371 8.4372 8.8791 8.8795 8.9051 8.9052 12.2967 12.2968 k = 0.5000-0.0000 0.2327 ( 10694 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7015 -18.7005 -18.6679 -18.6679 -18.4216 -18.4193 -18.1568 -18.1568 -17.9230 -17.9179 -17.8366 -17.8361 -17.7968 -17.7937 -17.6834 -17.6833 -17.5531 -17.5531 -6.4890 -6.4890 -6.3462 -6.3462 2.3399 2.3399 2.3791 2.3792 3.7476 3.7478 3.7745 3.7746 4.1117 4.1117 4.4317 4.4318 8.4005 8.4009 8.4129 8.4131 8.9213 8.9218 8.9500 8.9501 12.3017 12.3018 k = 0.5000-0.0000 0.2210 ( 10690 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7017 -18.7006 -18.6681 -18.6680 -18.4217 -18.4190 -18.1569 -18.1568 -17.9230 -17.9171 -17.8368 -17.8361 -17.7968 -17.7932 -17.6833 -17.6833 -17.5535 -17.5534 -6.4895 -6.4895 -6.3461 -6.3461 2.3542 2.3542 2.3863 2.3864 3.7474 3.7477 3.7744 3.7745 4.0967 4.0967 4.4056 4.4058 8.3824 8.3828 8.3887 8.3889 8.9683 8.9687 8.9991 8.9992 12.3076 12.3077 k = 0.5000-0.0000 0.2094 ( 10684 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7020 -18.7007 -18.6683 -18.6682 -18.4218 -18.4188 -18.1569 -18.1568 -17.9229 -17.9162 -17.8369 -17.8362 -17.7968 -17.7927 -17.6832 -17.6832 -17.5538 -17.5538 -6.4900 -6.4900 -6.3459 -6.3459 2.3708 2.3709 2.3946 2.3947 3.7472 3.7475 3.7743 3.7745 4.0794 4.0795 4.3756 4.3758 8.3648 8.3651 8.3654 8.3655 9.0190 9.0195 9.0513 9.0514 12.3142 12.3144 k = 0.5000-0.0000 0.1978 ( 10696 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7023 -18.7008 -18.6685 -18.6684 -18.4219 -18.4186 -18.1569 -18.1568 -17.9227 -17.9154 -17.8371 -17.8363 -17.7967 -17.7922 -17.6831 -17.6831 -17.5542 -17.5542 -6.4906 -6.4906 -6.3458 -6.3458 2.3899 2.3899 2.4040 2.4041 3.7470 3.7473 3.7743 3.7745 4.0602 4.0603 4.3420 4.3422 8.3428 8.3429 8.3484 8.3488 9.0727 9.0731 9.1060 9.1061 12.3215 12.3216 k = 0.5000-0.0000 0.1861 ( 10692 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7026 -18.7010 -18.6687 -18.6686 -18.4219 -18.4184 -18.1569 -18.1568 -17.9224 -17.9145 -17.8373 -17.8364 -17.7965 -17.7917 -17.6830 -17.6829 -17.5546 -17.5546 -6.4913 -6.4913 -6.3456 -6.3456 2.4110 2.4110 2.4144 2.4146 3.7468 3.7471 3.7742 3.7744 4.0392 4.0393 4.3051 4.3054 8.3216 8.3218 8.3330 8.3334 9.1286 9.1290 9.1625 9.1626 12.3292 12.3293 k = 0.5000-0.0000 0.1745 ( 10688 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7029 -18.7012 -18.6689 -18.6688 -18.4219 -18.4182 -18.1569 -18.1568 -17.9221 -17.9137 -17.8374 -17.8365 -17.7963 -17.7912 -17.6829 -17.6828 -17.5551 -17.5551 -6.4920 -6.4920 -6.3454 -6.3454 2.4256 2.4257 2.4344 2.4345 3.7465 3.7469 3.7740 3.7743 4.0168 4.0169 4.2655 4.2658 8.3019 8.3021 8.3189 8.3193 9.1861 9.1865 9.2203 9.2204 12.3372 12.3373 k = 0.5000-0.0000 0.1629 ( 10686 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7031 -18.7014 -18.6691 -18.6690 -18.4219 -18.4181 -18.1569 -18.1568 -17.9216 -17.9130 -17.8376 -17.8366 -17.7960 -17.7907 -17.6828 -17.6827 -17.5556 -17.5556 -6.4927 -6.4927 -6.3452 -6.3452 2.4377 2.4378 2.4596 2.4597 3.7462 3.7467 3.7739 3.7742 3.9932 3.9934 4.2236 4.2239 8.2837 8.2839 8.3060 8.3063 9.2447 9.2451 9.2788 9.2789 12.3451 12.3451 k = 0.5000-0.0000 0.1512 ( 10672 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7034 -18.7017 -18.6694 -18.6693 -18.4218 -18.4180 -18.1569 -18.1568 -17.9211 -17.9123 -17.8378 -17.8368 -17.7957 -17.7903 -17.6827 -17.6826 -17.5561 -17.5561 -6.4935 -6.4935 -6.3450 -6.3450 2.4503 2.4505 2.4865 2.4866 3.7459 3.7465 3.7737 3.7741 3.9689 3.9691 4.1798 4.1802 8.2670 8.2672 8.2943 8.2947 9.3037 9.3041 9.3375 9.3376 12.3526 12.3526 k = 0.5000-0.0000 0.1396 ( 10672 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7037 -18.7020 -18.6696 -18.6695 -18.4217 -18.4179 -18.1570 -18.1568 -17.9204 -17.9117 -17.8379 -17.8369 -17.7953 -17.7899 -17.6826 -17.6825 -17.5566 -17.5566 -6.4943 -6.4943 -6.3448 -6.3448 2.4635 2.4636 2.5149 2.5150 3.7456 3.7462 3.7735 3.7739 3.9441 3.9444 4.1347 4.1351 8.2519 8.2520 8.2838 8.2842 9.3626 9.3630 9.3959 9.3960 12.3594 12.3594 k = 0.5000-0.0000 0.1280 ( 10684 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7040 -18.7023 -18.6698 -18.6697 -18.4216 -18.4178 -18.1570 -18.1568 -17.9198 -17.9111 -17.8380 -17.8370 -17.7949 -17.7895 -17.6824 -17.6823 -17.5571 -17.5571 -6.4950 -6.4950 -6.3447 -6.3446 2.4769 2.4770 2.5445 2.5446 3.7452 3.7460 3.7732 3.7737 3.9192 3.9196 4.0888 4.0893 8.2381 8.2383 8.2745 8.2748 9.4207 9.4210 9.4534 9.4535 12.3651 12.3652 k = 0.5000-0.0000 0.1163 ( 10682 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7042 -18.7026 -18.6701 -18.6699 -18.4215 -18.4178 -18.1570 -18.1568 -17.9191 -17.9107 -17.8381 -17.8372 -17.7945 -17.7892 -17.6823 -17.6822 -17.5576 -17.5576 -6.4958 -6.4957 -6.3445 -6.3445 2.4904 2.4905 2.5750 2.5751 3.7449 3.7457 3.7728 3.7733 3.8946 3.8951 4.0428 4.0433 8.2258 8.2259 8.2662 8.2665 9.4774 9.4777 9.5094 9.5095 12.3693 12.3695 k = 0.5000-0.0000 0.1047 ( 10670 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7045 -18.7029 -18.6703 -18.6701 -18.4213 -18.4178 -18.1570 -18.1568 -17.9183 -17.9103 -17.8382 -17.8373 -17.7940 -17.7890 -17.6822 -17.6821 -17.5581 -17.5580 -6.4965 -6.4965 -6.3443 -6.3443 2.5037 2.5038 2.6060 2.6060 3.7444 3.7454 3.7722 3.7728 3.8708 3.8714 3.9972 3.9978 8.2148 8.2150 8.2589 8.2592 9.5319 9.5322 9.5633 9.5633 12.3717 12.3719 k = 0.5000-0.0000 0.0931 ( 10668 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7047 -18.7032 -18.6704 -18.6703 -18.4211 -18.4179 -18.1570 -18.1569 -17.9175 -17.9101 -17.8383 -17.8375 -17.7935 -17.7888 -17.6821 -17.6820 -17.5585 -17.5585 -6.4971 -6.4971 -6.3441 -6.3441 2.5166 2.5168 2.6369 2.6370 3.7439 3.7450 3.7714 3.7721 3.8480 3.8488 3.9529 3.9536 8.2052 8.2053 8.2526 8.2528 9.5836 9.5838 9.6143 9.6143 12.3718 12.3721 k = 0.5000-0.0000 0.0814 ( 10676 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7049 -18.7035 -18.6706 -18.6704 -18.4209 -18.4179 -18.1570 -18.1569 -17.9167 -17.9099 -17.8384 -17.8376 -17.7929 -17.7887 -17.6820 -17.6819 -17.5589 -17.5589 -6.4977 -6.4977 -6.3440 -6.3439 2.5290 2.5291 2.6673 2.6674 3.7434 3.7446 3.7701 3.7710 3.8268 3.8278 3.9108 3.9117 8.1968 8.1969 8.2471 8.2473 9.6317 9.6319 9.6618 9.6618 12.3696 12.3699 k = 0.5000-0.0000 0.0698 ( 10676 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7050 -18.7038 -18.6707 -18.6706 -18.4206 -18.4180 -18.1570 -18.1569 -17.9159 -17.9099 -17.8384 -17.8377 -17.7924 -17.7886 -17.6819 -17.6818 -17.5593 -17.5593 -6.4983 -6.4983 -6.3438 -6.3438 2.5404 2.5405 2.6965 2.6966 3.7426 3.7440 3.7679 3.7691 3.8076 3.8088 3.8721 3.8732 8.1897 8.1898 8.2425 8.2427 9.6754 9.6756 9.7049 9.7050 12.3652 12.3655 k = 0.5000-0.0000 0.0582 ( 10680 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7051 -18.7041 -18.6709 -18.6707 -18.4204 -18.4182 -18.1570 -18.1569 -17.9151 -17.9099 -17.8384 -17.8378 -17.7919 -17.7886 -17.6818 -17.6817 -17.5596 -17.5596 -6.4988 -6.4988 -6.3437 -6.3437 2.5506 2.5508 2.7236 2.7237 3.7416 3.7432 3.7640 3.7654 3.7909 3.7923 3.8387 3.8401 8.1837 8.1838 8.2387 8.2389 9.7141 9.7142 9.7431 9.7432 12.3589 12.3592 k = 0.5000-0.0000 0.0465 ( 10676 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7052 -18.7043 -18.6710 -18.6708 -18.4202 -18.4183 -18.1570 -18.1569 -17.9143 -17.9101 -17.8384 -17.8379 -17.7914 -17.7887 -17.6817 -17.6816 -17.5599 -17.5599 -6.4992 -6.4992 -6.3436 -6.3436 2.5595 2.5596 2.7478 2.7479 3.7402 3.7420 3.7567 3.7583 3.7772 3.7788 3.8134 3.8149 8.1788 8.1789 8.2356 8.2358 9.7469 9.7470 9.7756 9.7756 12.3517 12.3520 k = 0.5000-0.0000 0.0349 ( 10678 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7052 -18.7046 -18.6710 -18.6709 -18.4199 -18.4185 -18.1570 -18.1569 -17.9136 -17.9103 -17.8384 -17.8380 -17.7909 -17.7888 -17.6816 -17.6816 -17.5601 -17.5601 -6.4995 -6.4995 -6.3435 -6.3435 2.5666 2.5667 2.7681 2.7681 3.7383 3.7400 3.7451 3.7464 3.7671 3.7688 3.7985 3.7998 8.1751 8.1752 8.2333 8.2334 9.7733 9.7733 9.8016 9.8016 12.3444 12.3447 k = 0.5000-0.0000 0.0233 ( 10676 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7052 -18.7048 -18.6711 -18.6710 -18.4197 -18.4187 -18.1570 -18.1569 -17.9129 -17.9107 -17.8384 -17.8381 -17.7904 -17.7890 -17.6816 -17.6816 -17.5603 -17.5603 -6.4997 -6.4997 -6.3434 -6.3434 2.5719 2.5720 2.7835 2.7835 3.7322 3.7329 3.7362 3.7377 3.7609 3.7622 3.7917 3.7925 8.1725 8.1725 8.2316 8.2317 9.7925 9.7926 9.8206 9.8207 12.3383 12.3385 k = 0.5000-0.0000 0.0116 ( 10668 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7051 -18.7049 -18.6711 -18.6711 -18.4194 -18.4189 -18.1570 -18.1569 -17.9122 -17.9111 -17.8383 -17.8382 -17.7900 -17.7893 -17.6815 -17.6815 -17.5604 -17.5604 -6.4999 -6.4999 -6.3434 -6.3434 2.5751 2.5752 2.7931 2.7931 3.7229 3.7232 3.7344 3.7352 3.7580 3.7587 3.7890 3.7893 8.1709 8.1709 8.2307 8.2307 9.8043 9.8043 9.8323 9.8323 12.3343 12.3344 k = 0.5000-0.0000-0.0000 ( 10662 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8142 -39.8142 -39.7306 -39.7306 -39.6185 -39.6185 -18.7051 -18.7051 -18.6711 -18.6711 -18.4192 -18.4192 -18.1570 -18.1570 -17.9117 -17.9117 -17.8383 -17.8383 -17.7896 -17.7896 -17.6815 -17.6815 -17.5604 -17.5604 -6.4999 -6.4999 -6.3434 -6.3434 2.5762 2.5762 2.7964 2.7964 3.7196 3.7196 3.7340 3.7340 3.7573 3.7573 3.7883 3.7883 8.1704 8.1704 8.2303 8.2303 9.8082 9.8082 9.8362 9.8362 12.3329 12.3329 k = 0.0000 0.0000 0.2908 ( 10668 PWs) bands (ev): -46.3836 -46.3836 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7084 -18.7084 -18.5073 -18.5073 -18.3900 -18.3900 -18.1704 -18.1704 -18.0594 -18.0594 -17.8167 -17.8167 -17.7500 -17.7500 -17.6429 -17.6429 -17.5790 -17.5790 -6.7017 -6.7017 -6.6186 -6.6186 2.9706 2.9706 3.1660 3.1660 3.4083 3.4083 3.6205 3.6205 4.0985 4.0985 4.6646 4.6646 6.6400 6.6400 6.8438 6.8438 11.1755 11.1755 11.4592 11.4592 13.3326 13.3326 k = 0.0116-0.0000 0.2908 ( 10662 PWs) bands (ev): -46.3835 -46.3835 -46.0681 -46.0681 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7095 -18.7076 -18.5094 -18.5052 -18.3912 -18.3891 -18.1722 -18.1683 -18.0601 -18.0585 -17.8180 -17.8156 -17.7506 -17.7494 -17.6434 -17.6425 -17.5791 -17.5787 -6.7014 -6.7013 -6.6183 -6.6183 2.9704 2.9705 3.1649 3.1650 3.4086 3.4087 3.6206 3.6207 4.0976 4.0977 4.6631 4.6632 6.6416 6.6417 6.8460 6.8461 11.1753 11.1754 11.4575 11.4576 13.3311 13.3312 k = 0.0233-0.0000 0.2908 ( 10658 PWs) bands (ev): -46.3833 -46.3833 -46.0684 -46.0684 -45.6996 -45.6996 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7109 -18.7070 -18.5113 -18.5031 -18.3927 -18.3885 -18.1736 -18.1660 -18.0605 -18.0574 -17.8194 -17.8146 -17.7514 -17.7490 -17.6440 -17.6422 -17.5792 -17.5783 -6.7003 -6.7001 -6.6176 -6.6176 2.9700 2.9702 3.1615 3.1618 3.4098 3.4098 3.6213 3.6214 4.0951 4.0954 4.6587 4.6589 6.6464 6.6465 6.8526 6.8528 11.1748 11.1749 11.4524 11.4525 13.3265 13.3268 k = 0.0349-0.0000 0.2908 ( 10652 PWs) bands (ev): -46.3829 -46.3829 -46.0687 -46.0687 -45.6995 -45.6995 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7126 -18.7068 -18.5132 -18.5009 -18.3946 -18.3883 -18.1748 -18.1634 -18.0608 -18.0562 -17.8209 -17.8137 -17.7523 -17.7487 -17.6447 -17.6421 -17.5792 -17.5778 -6.6984 -6.6981 -6.6165 -6.6164 2.9693 2.9695 3.1560 3.1565 3.4116 3.4117 3.6224 3.6225 4.0911 4.0915 4.6517 4.6520 6.6543 6.6545 6.8637 6.8639 11.1738 11.1739 11.4439 11.4441 13.3188 13.3192 k = 0.0465-0.0000 0.2908 ( 10664 PWs) bands (ev): -46.3824 -46.3824 -46.0692 -46.0692 -45.6995 -45.6995 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7144 -18.7069 -18.5151 -18.4986 -18.3968 -18.3885 -18.1755 -18.1607 -18.0608 -18.0547 -17.8225 -17.8129 -17.7534 -17.7485 -17.6454 -17.6420 -17.5790 -17.5772 -6.6958 -6.6954 -6.6148 -6.6147 2.9681 2.9684 3.1485 3.1492 3.4143 3.4144 3.6239 3.6241 4.0856 4.0861 4.6423 4.6426 6.6652 6.6655 6.8789 6.8792 11.1720 11.1722 11.4319 11.4321 13.3077 13.3084 k = 0.0581-0.0000 0.2908 ( 10660 PWs) bands (ev): -46.3818 -46.3818 -46.0698 -46.0698 -45.6995 -45.6995 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7165 -18.7073 -18.5168 -18.4963 -18.3992 -18.3890 -18.1759 -18.1579 -18.0606 -18.0530 -17.8242 -17.8122 -17.7545 -17.7484 -17.6462 -17.6421 -17.5788 -17.5765 -6.6925 -6.6919 -6.6126 -6.6125 2.9662 2.9666 3.1391 3.1400 3.4177 3.4178 3.6258 3.6260 4.0786 4.0792 4.6307 4.6311 6.6790 6.6793 6.8982 6.8985 11.1689 11.1692 11.4163 11.4165 13.2930 13.2939 k = 0.0698-0.0000 0.2908 ( 10658 PWs) bands (ev): -46.3810 -46.3810 -46.0706 -46.0706 -45.6995 -45.6995 -39.8142 -39.8142 -39.7312 -39.7312 -39.6175 -39.6175 -18.7188 -18.7079 -18.5185 -18.4940 -18.4020 -18.3899 -18.1759 -18.1551 -18.0602 -18.0510 -17.8260 -17.8116 -17.7557 -17.7485 -17.6471 -17.6423 -17.5784 -17.5758 -6.6885 -6.6878 -6.6100 -6.6098 2.9634 2.9639 3.1281 3.1291 3.4218 3.4220 3.6282 3.6284 4.0702 4.0709 4.6176 4.6180 6.6956 6.6959 6.9212 6.9216 11.1641 11.1644 11.3971 11.3974 13.2744 13.2755 k = 0.0814-0.0000 0.2908 ( 10664 PWs) bands (ev): -46.3801 -46.3801 -46.0715 -46.0715 -45.6994 -45.6994 -39.8142 -39.8142 -39.7311 -39.7311 -39.6175 -39.6175 -18.7213 -18.7088 -18.5202 -18.4917 -18.4050 -18.3911 -18.1756 -18.1523 -18.0595 -18.0487 -17.8279 -17.8111 -17.7570 -17.7486 -17.6481 -17.6427 -17.5780 -17.5749 -6.6838 -6.6830 -6.6069 -6.6067 2.9593 2.9599 3.1157 3.1169 3.4266 3.4268 3.6310 3.6313 4.0606 4.0615 4.6032 4.6037 6.7147 6.7151 6.9478 6.9482 11.1567 11.1570 11.3743 11.3746 13.2516 13.2528 k = 0.0930-0.0000 0.2908 ( 10656 PWs) bands (ev): -46.3790 -46.3790 -46.0726 -46.0726 -45.6994 -45.6994 -39.8142 -39.8142 -39.7311 -39.7311 -39.6175 -39.6175 -18.7238 -18.7099 -18.5218 -18.4893 -18.4083 -18.3926 -18.1750 -18.1495 -18.0584 -18.0462 -17.8299 -17.8107 -17.7584 -17.7489 -17.6492 -17.6431 -17.5775 -17.5740 -6.6785 -6.6776 -6.6033 -6.6031 2.9536 2.9543 3.1023 3.1036 3.4322 3.4324 3.6342 3.6345 4.0500 4.0509 4.5881 4.5887 6.7362 6.7366 6.9776 6.9781 11.1458 11.1463 11.3481 11.3483 13.2242 13.2256 k = 0.1047-0.0000 0.2908 ( 10654 PWs) bands (ev): -46.3778 -46.3778 -46.0737 -46.0737 -45.6993 -45.6993 -39.8142 -39.8142 -39.7311 -39.7311 -39.6176 -39.6176 -18.7264 -18.7113 -18.5235 -18.4870 -18.4120 -18.3944 -18.1741 -18.1470 -18.0571 -18.0433 -17.8319 -17.8104 -17.7599 -17.7492 -17.6502 -17.6437 -17.5769 -17.5730 -6.6726 -6.6716 -6.5992 -6.5990 2.9457 2.9464 3.0884 3.0897 3.4384 3.4387 3.6378 3.6381 4.0384 4.0395 4.5728 4.5734 6.7599 6.7604 7.0104 7.0108 11.1305 11.1310 11.3186 11.3188 13.1923 13.1937 k = 0.1163-0.0000 0.2908 ( 10666 PWs) bands (ev): -46.3765 -46.3765 -46.0750 -46.0750 -45.6993 -45.6993 -39.8142 -39.8142 -39.7311 -39.7311 -39.6176 -39.6176 -18.7291 -18.7128 -18.5252 -18.4847 -18.4159 -18.3963 -18.1730 -18.1446 -18.0554 -18.0401 -17.8341 -17.8102 -17.7615 -17.7496 -17.6514 -17.6444 -17.5763 -17.5720 -6.6662 -6.6651 -6.5946 -6.5943 2.9352 2.9359 3.0742 3.0756 3.4453 3.4456 3.6418 3.6421 4.0261 4.0273 4.5577 4.5582 6.7857 6.7863 7.0457 7.0461 11.1094 11.1102 11.2862 11.2863 13.1556 13.1571 k = 0.1279-0.0000 0.2908 ( 10658 PWs) bands (ev): -46.3751 -46.3751 -46.0765 -46.0765 -45.6992 -45.6992 -39.8142 -39.8142 -39.7311 -39.7311 -39.6176 -39.6176 -18.7319 -18.7144 -18.5270 -18.4824 -18.4202 -18.3985 -18.1717 -18.1425 -18.0533 -18.0366 -17.8362 -17.8100 -17.7632 -17.7501 -17.6526 -17.6453 -17.5755 -17.5709 -6.6594 -6.6581 -6.5895 -6.5892 2.9217 2.9223 3.0601 3.0615 3.4528 3.4531 3.6461 3.6464 4.0135 4.0148 4.5431 4.5436 6.8134 6.8141 7.0834 7.0838 11.0817 11.0826 11.2509 11.2512 13.1149 13.1163 k = 0.1395-0.0000 0.2908 ( 10662 PWs) bands (ev): -46.3735 -46.3735 -46.0780 -46.0780 -45.6992 -45.6992 -39.8142 -39.8142 -39.7311 -39.7311 -39.6176 -39.6176 -18.7346 -18.7162 -18.5289 -18.4802 -18.4247 -18.4007 -18.1703 -18.1407 -18.0509 -18.0327 -17.8384 -17.8100 -17.7649 -17.7507 -17.6538 -17.6462 -17.5748 -17.5698 -6.6522 -6.6508 -6.5839 -6.5836 2.9051 2.9055 3.0463 3.0476 3.4610 3.4613 3.6508 3.6511 4.0007 4.0021 4.5293 4.5299 6.8430 6.8437 7.1231 7.1235 11.0465 11.0475 11.2129 11.2133 13.0714 13.0726 k = 0.1512-0.0000 0.2908 ( 10662 PWs) bands (ev): -46.3718 -46.3718 -46.0796 -46.0796 -45.6991 -45.6991 -39.8142 -39.8142 -39.7311 -39.7311 -39.6177 -39.6177 -18.7372 -18.7180 -18.5309 -18.4781 -18.4295 -18.4030 -18.1688 -18.1392 -18.0481 -18.0284 -17.8407 -17.8099 -17.7666 -17.7513 -17.6551 -17.6473 -17.5739 -17.5687 -6.6447 -6.6432 -6.5777 -6.5774 2.8853 2.8856 3.0325 3.0337 3.4697 3.4700 3.6558 3.6561 3.9882 3.9897 4.5167 4.5173 6.8742 6.8749 7.1646 7.1649 11.0037 11.0048 11.1717 11.1722 13.0270 13.0280 k = 0.1628-0.0000 0.2908 ( 10660 PWs) bands (ev): -46.3700 -46.3700 -46.0814 -46.0814 -45.6990 -45.6990 -39.8142 -39.8142 -39.7310 -39.7310 -39.6177 -39.6177 -18.7398 -18.7198 -18.5331 -18.4762 -18.4346 -18.4053 -18.1673 -18.1380 -18.0449 -18.0238 -17.8429 -17.8100 -17.7684 -17.7520 -17.6565 -17.6484 -17.5731 -17.5675 -6.6370 -6.6353 -6.5710 -6.5706 2.8628 2.8629 3.0184 3.0194 3.4789 3.4793 3.6611 3.6614 3.9763 3.9780 4.5055 4.5060 6.9069 6.9078 7.2076 7.2079 10.9535 10.9547 11.1265 11.1271 12.9840 12.9848 k = 0.1744-0.0000 0.2908 ( 10656 PWs) bands (ev): -46.3681 -46.3681 -46.0833 -46.0833 -45.6990 -45.6990 -39.8142 -39.8142 -39.7310 -39.7310 -39.6177 -39.6177 -18.7423 -18.7216 -18.5356 -18.4745 -18.4397 -18.4076 -18.1659 -18.1371 -18.0414 -18.0189 -17.8452 -17.8101 -17.7703 -17.7527 -17.6579 -17.6496 -17.5722 -17.5664 -6.6291 -6.6273 -6.5638 -6.5634 2.8378 2.8379 3.0036 3.0045 3.4886 3.4890 3.6666 3.6669 3.9655 3.9672 4.4956 4.4961 6.9412 6.9421 7.2520 7.2523 10.8967 10.8980 11.0765 11.0770 12.9447 12.9453 k = 0.1860-0.0000 0.2908 ( 10640 PWs) bands (ev): -46.3661 -46.3661 -46.0852 -46.0852 -45.6989 -45.6989 -39.8142 -39.8142 -39.7310 -39.7310 -39.6178 -39.6178 -18.7446 -18.7233 -18.5383 -18.4732 -18.4448 -18.4098 -18.1644 -18.1365 -18.0375 -18.0136 -17.8474 -17.8102 -17.7722 -17.7535 -17.6593 -17.6509 -17.5712 -17.5653 -6.6211 -6.6193 -6.5560 -6.5555 2.8107 2.8110 2.9877 2.9884 3.4988 3.4992 3.6723 3.6726 3.9560 3.9578 4.4872 4.4876 6.9769 6.9778 7.2975 7.2977 10.8342 10.8355 11.0207 11.0213 12.9105 12.9109 k = 0.1977-0.0000 0.2908 ( 10650 PWs) bands (ev): -46.3641 -46.3641 -46.0873 -46.0873 -45.6988 -45.6988 -39.8142 -39.8142 -39.7310 -39.7310 -39.6178 -39.6178 -18.7468 -18.7249 -18.5414 -18.4729 -18.4493 -18.4118 -18.1631 -18.1362 -18.0333 -18.0081 -17.8496 -17.8104 -17.7741 -17.7543 -17.6607 -17.6523 -17.5703 -17.5642 -6.6132 -6.6112 -6.5477 -6.5471 2.7822 2.7827 2.9702 2.9708 3.5093 3.5098 3.6782 3.6785 3.9482 3.9501 4.4802 4.4806 7.0139 7.0149 7.3439 7.3442 10.7667 10.7680 10.9589 10.9596 12.8821 12.8825 k = 0.2093-0.0000 0.2908 ( 10658 PWs) bands (ev): -46.3619 -46.3619 -46.0895 -46.0895 -45.6987 -45.6987 -39.8142 -39.8142 -39.7309 -39.7309 -39.6178 -39.6178 -18.7488 -18.7265 -18.5447 -18.4741 -18.4526 -18.4136 -18.1619 -18.1361 -18.0289 -18.0024 -17.8517 -17.8106 -17.7760 -17.7552 -17.6621 -17.6537 -17.5693 -17.5631 -6.6053 -6.6033 -6.5388 -6.5383 2.7527 2.7533 2.9510 2.9515 3.5202 3.5207 3.6843 3.6845 3.9424 3.9444 4.4746 4.4749 7.0522 7.0532 7.3913 7.3915 10.6949 10.6962 10.8910 10.8916 12.8595 12.8600 k = 0.2209-0.0000 0.2908 ( 10652 PWs) bands (ev): -46.3596 -46.3596 -46.0917 -46.0917 -45.6987 -45.6987 -39.8142 -39.8142 -39.7309 -39.7309 -39.6179 -39.6179 -18.7506 -18.7278 -18.5484 -18.4775 -18.4541 -18.4153 -18.1607 -18.1363 -18.0242 -17.9964 -17.8538 -17.8108 -17.7780 -17.7562 -17.6636 -17.6552 -17.5683 -17.5620 -6.5975 -6.5954 -6.5294 -6.5289 2.7224 2.7232 2.9299 2.9302 3.5315 3.5320 3.6904 3.6907 3.9388 3.9408 4.4703 4.4706 7.0918 7.0928 7.4394 7.4395 10.6195 10.6208 10.8172 10.8178 12.8418 12.8425 k = 0.2326-0.0000 0.2908 ( 10646 PWs) bands (ev): -46.3573 -46.3573 -46.0940 -46.0940 -45.6986 -45.6986 -39.8142 -39.8142 -39.7309 -39.7309 -39.6179 -39.6179 -18.7522 -18.7290 -18.5525 -18.4828 -18.4540 -18.4168 -18.1598 -18.1367 -18.0193 -17.9903 -17.8558 -17.8110 -17.7800 -17.7572 -17.6651 -17.6567 -17.5674 -17.5610 -6.5898 -6.5877 -6.5196 -6.5191 2.6918 2.6927 2.9068 2.9071 3.5430 3.5435 3.6966 3.6969 3.9375 3.9395 4.4672 4.4674 7.1326 7.1336 7.4881 7.4882 10.5411 10.5423 10.7380 10.7386 12.8271 12.8280 k = 0.2442-0.0000 0.2908 ( 10648 PWs) bands (ev): -46.3549 -46.3549 -46.0963 -46.0963 -45.6985 -45.6985 -39.8142 -39.8142 -39.7309 -39.7309 -39.6179 -39.6179 -18.7535 -18.7300 -18.5569 -18.4893 -18.4529 -18.4180 -18.1590 -18.1372 -18.0142 -17.9842 -17.8577 -17.8112 -17.7820 -17.7582 -17.6665 -17.6583 -17.5664 -17.5600 -6.5823 -6.5802 -6.5095 -6.5090 2.6611 2.6621 2.8819 2.8821 3.5546 3.5552 3.7028 3.7031 3.9384 3.9405 4.4652 4.4654 7.1746 7.1757 7.5374 7.5375 10.4600 10.4611 10.6542 10.6548 12.8121 12.8132 k = 0.2558-0.0000 0.2908 ( 10658 PWs) bands (ev): -46.3525 -46.3525 -46.0987 -46.0987 -45.6984 -45.6984 -39.8142 -39.8142 -39.7309 -39.7309 -39.6180 -39.6180 -18.7545 -18.7307 -18.5617 -18.4965 -18.4514 -18.4190 -18.1583 -18.1379 -18.0090 -17.9779 -17.8595 -17.8114 -17.7840 -17.7593 -17.6680 -17.6598 -17.5654 -17.5591 -6.5750 -6.5729 -6.4990 -6.4985 2.6307 2.6317 2.8553 2.8554 3.5665 3.5671 3.7091 3.7093 3.9416 3.9437 4.4642 4.4643 7.2179 7.2189 7.5873 7.5874 10.3766 10.3777 10.5665 10.5671 12.7928 12.7939 k = 0.2674-0.0000 0.2908 ( 10660 PWs) bands (ev): -46.3500 -46.3500 -46.1012 -46.1012 -45.6983 -45.6983 -39.8142 -39.8142 -39.7308 -39.7308 -39.6180 -39.6180 -18.7553 -18.7311 -18.5669 -18.5041 -18.4496 -18.4199 -18.1577 -18.1387 -18.0037 -17.9717 -17.8612 -17.8116 -17.7861 -17.7605 -17.6694 -17.6614 -17.5645 -17.5582 -6.5679 -6.5659 -6.4884 -6.4879 2.6006 2.6018 2.8271 2.8272 3.5784 3.5790 3.7152 3.7155 3.9469 3.9490 4.4640 4.4641 7.2624 7.2635 7.6377 7.6377 10.2913 10.2923 10.4759 10.4765 12.7671 12.7683 k = 0.2791-0.0000 0.2908 ( 10668 PWs) bands (ev): -46.3475 -46.3475 -46.1036 -46.1036 -45.6983 -45.6983 -39.8143 -39.8142 -39.7308 -39.7308 -39.6181 -39.6181 -18.7558 -18.7313 -18.5724 -18.5122 -18.4477 -18.4205 -18.1573 -18.1396 -17.9983 -17.9655 -17.8627 -17.8117 -17.7881 -17.7617 -17.6709 -17.6630 -17.5636 -17.5574 -6.5610 -6.5590 -6.4776 -6.4772 2.5713 2.5724 2.7978 2.7978 3.5904 3.5910 3.7213 3.7216 3.9542 3.9562 4.4645 4.4645 7.3081 7.3092 7.6886 7.6886 10.2042 10.2052 10.3831 10.3837 12.7363 12.7374 k = 0.2907-0.0000 0.2908 ( 10672 PWs) bands (ev): -46.3450 -46.3450 -46.1061 -46.1061 -45.6982 -45.6982 -39.8143 -39.8143 -39.7308 -39.7308 -39.6181 -39.6181 -18.7559 -18.7312 -18.5782 -18.5204 -18.4458 -18.4209 -18.1570 -18.1406 -17.9929 -17.9594 -17.8641 -17.8118 -17.7902 -17.7629 -17.6722 -17.6645 -17.5627 -17.5566 -6.5543 -6.5524 -6.4668 -6.4664 2.5427 2.5440 2.7674 2.7675 3.6023 3.6030 3.7272 3.7275 3.9632 3.9652 4.4656 4.4656 7.3552 7.3563 7.7399 7.7400 10.1157 10.1165 10.2891 10.2896 12.7024 12.7034 k = 0.3023-0.0000 0.2908 ( 10666 PWs) bands (ev): -46.3425 -46.3425 -46.1086 -46.1086 -45.6981 -45.6981 -39.8143 -39.8143 -39.7308 -39.7308 -39.6181 -39.6181 -18.7557 -18.7308 -18.5842 -18.5289 -18.4438 -18.4212 -18.1568 -18.1416 -17.9875 -17.9535 -17.8652 -17.8118 -17.7923 -17.7643 -17.6736 -17.6661 -17.5618 -17.5559 -6.5479 -6.5460 -6.4561 -6.4557 2.5153 2.5165 2.7364 2.7366 3.6142 3.6149 3.7329 3.7333 3.9737 3.9756 4.4671 4.4672 7.4036 7.4047 7.7918 7.7919 10.0257 10.0265 10.1944 10.1950 12.6670 12.6680 k = 0.3140-0.0000 0.2908 ( 10658 PWs) bands (ev): -46.3400 -46.3400 -46.1111 -46.1111 -45.6980 -45.6980 -39.8143 -39.8143 -39.7307 -39.7307 -39.6182 -39.6182 -18.7552 -18.7300 -18.5906 -18.5374 -18.4419 -18.4213 -18.1567 -18.1427 -17.9822 -17.9478 -17.8662 -17.8118 -17.7944 -17.7657 -17.6749 -17.6676 -17.5610 -17.5553 -6.5417 -6.5399 -6.4454 -6.4451 2.4890 2.4903 2.7051 2.7053 3.6260 3.6266 3.7384 3.7388 3.9854 3.9873 4.4690 4.4691 7.4534 7.4545 7.8442 7.8444 9.9345 9.9351 10.0999 10.1004 12.6311 12.6320 k = 0.3256-0.0000 0.2908 ( 10654 PWs) bands (ev): -46.3375 -46.3375 -46.1136 -46.1136 -45.6979 -45.6979 -39.8143 -39.8143 -39.7307 -39.7307 -39.6182 -39.6182 -18.7544 -18.7289 -18.5972 -18.5461 -18.4399 -18.4214 -18.1567 -18.1438 -17.9769 -17.9424 -17.8669 -17.8117 -17.7965 -17.7672 -17.6761 -17.6691 -17.5602 -17.5547 -6.5357 -6.5340 -6.4350 -6.4347 2.4642 2.4654 2.6737 2.6739 3.6375 3.6382 3.7437 3.7441 3.9981 4.0000 4.4711 4.4713 7.5046 7.5056 7.8972 7.8974 9.8421 9.8426 10.0060 10.0066 12.5955 12.5963 k = 0.3372-0.0000 0.2908 ( 10656 PWs) bands (ev): -46.3350 -46.3350 -46.1160 -46.1160 -45.6979 -45.6979 -39.8143 -39.8143 -39.7307 -39.7307 -39.6182 -39.6182 -18.7532 -18.7274 -18.6039 -18.5548 -18.4380 -18.4213 -18.1567 -18.1449 -17.9718 -17.9374 -17.8672 -17.8115 -17.7987 -17.7688 -17.6772 -17.6706 -17.5594 -17.5541 -6.5300 -6.5284 -6.4249 -6.4246 2.4408 2.4421 2.6426 2.6428 3.6488 3.6495 3.7487 3.7490 4.0115 4.0133 4.4734 4.4736 7.5572 7.5583 7.9508 7.9510 9.7487 9.7491 9.9134 9.9139 12.5605 12.5613 k = 0.3488-0.0000 0.2908 ( 10650 PWs) bands (ev): -46.3326 -46.3326 -46.1184 -46.1184 -45.6978 -45.6978 -39.8143 -39.8143 -39.7307 -39.7307 -39.6182 -39.6182 -18.7516 -18.7256 -18.6108 -18.5636 -18.4362 -18.4211 -18.1568 -18.1461 -17.9668 -17.9327 -17.8673 -17.8112 -17.8009 -17.7704 -17.6783 -17.6720 -17.5586 -17.5536 -6.5246 -6.5231 -6.4152 -6.4149 2.4191 2.4203 2.6119 2.6122 3.6598 3.6605 3.7533 3.7537 4.0254 4.0272 4.4758 4.4760 7.6115 7.6125 8.0050 8.0053 9.6546 9.6549 9.8223 9.8228 12.5267 12.5274 k = 0.3605-0.0000 0.2908 ( 10656 PWs) bands (ev): -46.3303 -46.3303 -46.1207 -46.1207 -45.6977 -45.6977 -39.8143 -39.8143 -39.7307 -39.7307 -39.6183 -39.6183 -18.7497 -18.7233 -18.6178 -18.5724 -18.4344 -18.4209 -18.1569 -18.1472 -17.9619 -17.9286 -17.8669 -17.8108 -17.8032 -17.7721 -17.6793 -17.6733 -17.5579 -17.5532 -6.5195 -6.5181 -6.4058 -6.4056 2.3991 2.4003 2.5820 2.5823 3.6705 3.6712 3.7575 3.7579 4.0395 4.0412 4.4782 4.4784 7.6673 7.6683 8.0599 8.0602 9.5599 9.5601 9.7328 9.7334 12.4942 12.4949 k = 0.3721-0.0000 0.2908 ( 10648 PWs) bands (ev): -46.3281 -46.3281 -46.1229 -46.1229 -45.6977 -45.6977 -39.8143 -39.8143 -39.7306 -39.7306 -39.6183 -39.6183 -18.7475 -18.7208 -18.6249 -18.5811 -18.4327 -18.4206 -18.1570 -18.1483 -17.9572 -17.9250 -17.8661 -17.8103 -17.8055 -17.7739 -17.6802 -17.6746 -17.5573 -17.5529 -6.5147 -6.5134 -6.3970 -6.3968 2.3810 2.3822 2.5531 2.5534 3.6807 3.6814 3.7613 3.7617 4.0536 4.0552 4.4805 4.4808 7.7248 7.7258 8.1156 8.1159 9.4650 9.4651 9.6452 9.6458 12.4635 12.4641 k = 0.3837-0.0000 0.2908 ( 10660 PWs) bands (ev): -46.3259 -46.3259 -46.1250 -46.1250 -45.6976 -45.6976 -39.8143 -39.8143 -39.7306 -39.7306 -39.6183 -39.6183 -18.7448 -18.7178 -18.6321 -18.5898 -18.4311 -18.4204 -18.1572 -18.1494 -17.9527 -17.9221 -17.8648 -17.8098 -17.8077 -17.7757 -17.6811 -17.6759 -17.5566 -17.5526 -6.5103 -6.5091 -6.3887 -6.3885 2.3648 2.3660 2.5254 2.5257 3.6905 3.6912 3.7647 3.7651 4.0674 4.0689 4.4827 4.4830 7.7840 7.7850 8.1721 8.1724 9.3702 9.3703 9.5595 9.5601 12.4346 12.4352 k = 0.3953-0.0000 0.2908 ( 10664 PWs) bands (ev): -46.3239 -46.3239 -46.1270 -46.1270 -45.6976 -45.6976 -39.8143 -39.8143 -39.7306 -39.7306 -39.6184 -39.6184 -18.7419 -18.7145 -18.6392 -18.5983 -18.4296 -18.4201 -18.1573 -18.1504 -17.9485 -17.9197 -17.8631 -17.8106 -17.8086 -17.7776 -17.6818 -17.6770 -17.5560 -17.5523 -6.5062 -6.5051 -6.3811 -6.3809 2.3506 2.3517 2.4990 2.4994 3.6997 3.7004 3.7676 3.7680 4.0807 4.0820 4.4847 4.4850 7.8450 7.8460 8.2294 8.2297 9.2758 9.2760 9.4756 9.4762 12.4079 12.4084 k = 0.4070-0.0000 0.2908 ( 10670 PWs) bands (ev): -46.3221 -46.3221 -46.1288 -46.1288 -45.6975 -45.6975 -39.8143 -39.8143 -39.7306 -39.7306 -39.6184 -39.6184 -18.7385 -18.7108 -18.6464 -18.6068 -18.4281 -18.4199 -18.1575 -18.1514 -17.9444 -17.9180 -17.8609 -17.8129 -17.8078 -17.7795 -17.6824 -17.6781 -17.5555 -17.5521 -6.5025 -6.5015 -6.3741 -6.3739 2.3384 2.3396 2.4743 2.4747 3.7084 3.7091 3.7700 3.7705 4.0933 4.0945 4.4866 4.4868 7.9078 7.9088 8.2876 8.2879 9.1822 9.1824 9.3936 9.3942 12.3835 12.3840 k = 0.4186-0.0000 0.2908 ( 10670 PWs) bands (ev): -46.3204 -46.3204 -46.1305 -46.1305 -45.6975 -45.6975 -39.8143 -39.8143 -39.7306 -39.7306 -39.6184 -39.6184 -18.7349 -18.7068 -18.6535 -18.6151 -18.4268 -18.4197 -18.1576 -18.1523 -17.9407 -17.9169 -17.8584 -17.8155 -17.8068 -17.7815 -17.6829 -17.6791 -17.5549 -17.5520 -6.4992 -6.4983 -6.3678 -6.3676 2.3284 2.3294 2.4513 2.4517 3.7165 3.7171 3.7719 3.7724 4.1049 4.1061 4.4882 4.4884 7.9725 7.9734 8.3467 8.3471 9.0897 9.0900 9.3132 9.3139 12.3616 12.3620 k = 0.4302-0.0000 0.2908 ( 10674 PWs) bands (ev): -46.3189 -46.3189 -46.1320 -46.1320 -45.6974 -45.6974 -39.8143 -39.8143 -39.7306 -39.7306 -39.6184 -39.6184 -18.7309 -18.7024 -18.6604 -18.6233 -18.4256 -18.4196 -18.1576 -18.1532 -17.9371 -17.9164 -17.8556 -17.8182 -17.8056 -17.7836 -17.6833 -17.6800 -17.5545 -17.5519 -6.4963 -6.4955 -6.3623 -6.3621 2.3204 2.3214 2.4304 2.4308 3.7239 3.7245 3.7733 3.7738 4.1155 4.1165 4.4895 4.4898 8.0391 8.0400 8.4068 8.4072 8.9985 8.9988 9.2347 9.2353 12.3423 12.3427 k = 0.4419-0.0000 0.2908 ( 10676 PWs) bands (ev): -46.3176 -46.3176 -46.1333 -46.1333 -45.6974 -45.6974 -39.8143 -39.8143 -39.7306 -39.7306 -39.6184 -39.6184 -18.7265 -18.6978 -18.6672 -18.6313 -18.4244 -18.4195 -18.1577 -18.1540 -17.9339 -17.9163 -17.8525 -17.8209 -17.8043 -17.7856 -17.6836 -17.6808 -17.5540 -17.5519 -6.4938 -6.4931 -6.3575 -6.3574 2.3144 2.3153 2.4116 2.4120 3.7305 3.7310 3.7743 3.7747 4.1248 4.1256 4.4907 4.4909 8.1077 8.1086 8.4679 8.4683 8.9089 8.9093 9.1578 9.1584 12.3258 12.3261 k = 0.4535-0.0000 0.2908 ( 10674 PWs) bands (ev): -46.3165 -46.3165 -46.1344 -46.1344 -45.6974 -45.6974 -39.8143 -39.8143 -39.7306 -39.7306 -39.6184 -39.6184 -18.7219 -18.6929 -18.6737 -18.6390 -18.4234 -18.4195 -18.1576 -18.1547 -17.9308 -17.9166 -17.8493 -17.8238 -17.8028 -17.7877 -17.6838 -17.6816 -17.5536 -17.5519 -6.4917 -6.4912 -6.3536 -6.3535 2.3103 2.3111 2.3952 2.3956 3.7363 3.7368 3.7747 3.7751 4.1326 4.1333 4.4916 4.4918 8.1782 8.1791 8.5297 8.5301 8.8213 8.8218 9.0825 9.0831 12.3121 12.3123 k = 0.4651-0.0000 0.2908 ( 10680 PWs) bands (ev): -46.3156 -46.3156 -46.1353 -46.1353 -45.6974 -45.6974 -39.8143 -39.8143 -39.7306 -39.7306 -39.6184 -39.6184 -18.7170 -18.6887 -18.6791 -18.6466 -18.4225 -18.4196 -18.1575 -18.1553 -17.9281 -17.9174 -17.8460 -17.8267 -17.8012 -17.7898 -17.6839 -17.6822 -17.5532 -17.5519 -6.4901 -6.4897 -6.3505 -6.3504 2.3080 2.3086 2.3816 2.3820 3.7411 3.7415 3.7749 3.7752 4.1389 4.1394 4.4923 4.4925 8.2507 8.2515 8.5911 8.5915 8.7373 8.7379 9.0089 9.0095 12.3014 12.3016 k = 0.4767-0.0000 0.2908 ( 10682 PWs) bands (ev): -46.3150 -46.3150 -46.1359 -46.1359 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7117 -18.6896 -18.6788 -18.6539 -18.4218 -18.4198 -18.1573 -18.1559 -17.9256 -17.9184 -17.8427 -17.8298 -17.7995 -17.7918 -17.6839 -17.6828 -17.5529 -17.5520 -6.4889 -6.4886 -6.3483 -6.3482 2.3070 2.3075 2.3712 2.3716 3.7448 3.7451 3.7748 3.7750 4.1435 4.1439 4.4928 4.4929 8.3250 8.3257 8.6274 8.6277 8.6814 8.6822 8.9369 8.9376 12.2937 12.2938 k = 0.4884-0.0000 0.2908 ( 10694 PWs) bands (ev): -46.3146 -46.3146 -46.1363 -46.1363 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7063 -18.6948 -18.6737 -18.6608 -18.4211 -18.4202 -18.1571 -18.1564 -17.9234 -17.9198 -17.8394 -17.8329 -17.7977 -17.7938 -17.6838 -17.6832 -17.5526 -17.5522 -6.4881 -6.4880 -6.3469 -6.3469 2.3068 2.3071 2.3646 2.3648 3.7472 3.7473 3.7746 3.7748 4.1463 4.1465 4.4931 4.4932 8.4006 8.4013 8.5617 8.5623 8.7314 8.7320 8.8668 8.8674 12.2891 12.2891 k = 0.5000-0.0000 0.2908 ( 10692 PWs) bands (ev): -46.3145 -46.3145 -46.1364 -46.1364 -45.6973 -45.6973 -39.8143 -39.8143 -39.7306 -39.7306 -39.6185 -39.6185 -18.7006 -18.7006 -18.6675 -18.6675 -18.4206 -18.4206 -18.1568 -18.1568 -17.9215 -17.9215 -17.8361 -17.8361 -17.7958 -17.7958 -17.6836 -17.6836 -17.5524 -17.5524 -6.4878 -6.4878 -6.3465 -6.3465 2.3069 2.3069 2.3624 2.3624 3.7480 3.7480 3.7746 3.7746 4.1473 4.1473 4.4932 4.4932 8.4636 8.4636 8.4985 8.4985 8.7901 8.7901 8.8060 8.8060 12.2875 12.2875 Writing output data file Na3Li3N2.save init_run : 1.50s CPU 11.75s WALL ( 1 calls) electrons : 836.80s CPU 852.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.40s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 836.78s CPU 852.14s WALL ( 1 calls) v_of_rho : 0.22s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.21s CPU 0.64s WALL ( 1 calls) newd : 0.30s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.26s WALL ( 324 calls) cegterg : 760.82s CPU 772.01s WALL ( 699 calls) Called by sum_band: Called by *egterg: h_psi : 404.31s CPU 413.86s WALL ( 11210 calls) s_psi : 22.97s CPU 23.46s WALL ( 11210 calls) g_psi : 1.45s CPU 1.41s WALL ( 10187 calls) cdiaghg : 207.00s CPU 204.98s WALL ( 10511 calls) cegterg:over : 78.49s CPU 76.99s WALL ( 10187 calls) cegterg:upda : 27.39s CPU 30.61s WALL ( 10187 calls) cegterg:last : 22.52s CPU 23.16s WALL ( 1671 calls) Called by h_psi: h_psi:vloc : 342.68s CPU 350.09s WALL ( 11210 calls) h_psi:vnl : 60.82s CPU 62.09s WALL ( 11210 calls) add_vuspsi : 18.49s CPU 21.08s WALL ( 11210 calls) General routines calbec : 42.29s CPU 40.92s WALL ( 11210 calls) fft : 0.15s CPU 0.98s WALL ( 15 calls) fftw : 330.15s CPU 335.64s WALL ( 1114172 calls) davcio : 0.04s CPU 3.43s WALL ( 648 calls) Parallel routines fft_scatter : 209.53s CPU 210.75s WALL ( 1114187 calls) PWSCF : 15m29.24s CPU 18m40.68s WALL This run was terminated on: 5:34:43 3Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=